tert-butyl 4-[[4-(5-amino-6-methoxy-3-pyridinyl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate

C26H35N7O4S — CID 122468917

IUPACtert-butyl 4-[[4-(5-amino-6-methoxy-3-pyridinyl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCN(C(=O)OC(C)(C)C)CC4)csc23)cc1N
InChIInChI=1S/C26H35N7O4S/c1-26(2,3)37-25(34)33-7-5-31(6-8-33)15-18-16-38-22-20(17-13-19(27)23(35-4)28-14-17)29-24(30-21(18)22)32-9-11-36-12-10-32/h13-14,16H,5-12,15,27H2,1-4H3
InChIKeyRREOQAXVZSCWHP-UHFFFAOYSA-N
MW541.68 g/mol
LogP3.23
Rot. Bonds5

About tert-butyl 4-[[4-(5-amino-6-methoxy-3-pyridinyl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate

tert-butyl 4-[[4-(5-amino-6-methoxy-3-pyridinyl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate (PubChem CID 122468917) has the molecular formula C26H35N7O4S and a molecular weight of 541.68 g/mol. Its IUPAC name is tert-butyl 4-[[4-(5-amino-6-methoxy-3-pyridinyl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[4-(5-amino-6-methoxy-3-pyridinyl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate
PubChem CID122468917
Molecular FormulaC26H35N7O4S
Molecular Weight541.68 g/mol
Exact Mass541.25
IUPAC Nametert-butyl 4-[[4-(5-amino-6-methoxy-3-pyridinyl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCN(C(=O)OC(C)(C)C)CC4)csc23)cc1N
InChIInChI=1S/C26H35N7O4S/c1-26(2,3)37-25(34)33-7-5-31(6-8-33)15-18-16-38-22-20(17-13-19(27)23(35-4)28-14-17)29-24(30-21(18)22)32-9-11-36-12-10-32/h13-14,16H,5-12,15,27H2,1-4H3
InChIKeyRREOQAXVZSCWHP-UHFFFAOYSA-N
XLogP3.23
TPSA119.17 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.68
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze tert-butyl 4-[[4-(5-amino-6-methoxy-3-pyridinyl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[[4-(2-methyl-1-benzofuran-3-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate
CID 122427930
2-[1-[[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol
CID 159931229
N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 160769913
CID 158297740
CID 158297740
(2R)-1-[4-[[4-(2-aminopyrimidin-5-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one
CID 118346946
1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 158000021
(2S)-1-[4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyrimidin-2-amine;tert-butyl 4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;ethane;(2S)-2-hydroxypropanoic acid;4-methyl-5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine;oxolan-2-ol
CID 159437581
tert-butyl 4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazine-1-carboxylate
CID 171478111
tert-butyl formate;N-[2-methoxy-5-[2-morpholin-4-yl-7-[(2,2,4-trimethylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
CID 144812398
2-methoxy-5-[6-methyl-7-[[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyridin-3-amine
CID 144812418
N-[5-[7-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 122428436
(2S)-2-hydroxy-1-[4-[[4-(1H-indazol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one
CID 71811704

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[4-(5-amino-6-methoxy-3-pyridinyl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[4-(5-amino-6-methoxy-3-pyridinyl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate (CID 122468917) is tert-butyl 4-[[4-(5-amino-6-methoxy-3-pyridinyl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[4-(5-amino-6-methoxy-3-pyridinyl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[4-(5-amino-6-methoxy-3-pyridinyl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate is COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCN(C(=O)OC(C)(C)C)CC4)csc23)cc1N.
What is the InChIKey of tert-butyl 4-[[4-(5-amino-6-methoxy-3-pyridinyl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate?
The InChIKey is RREOQAXVZSCWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N7O4S/c1-26(2,3)37-25(34)33-7-5-31(6-8-33)15-18-16-38-22-20(17-13-19(27)23(35-4)28-14-17)29-24(30-21(18)22)32-9-11-36-12-10-32/h13-14,16H,5-12,15,27H2,1-4H3.
What are the key properties of tert-butyl 4-[[4-(5-amino-6-methoxy-3-pyridinyl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate?
tert-butyl 4-[[4-(5-amino-6-methoxy-3-pyridinyl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate has a molecular weight of 541.68 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[4-(5-amino-6-methoxy-3-pyridinyl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate is sourced from PubChem (CID 122468917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).