[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone

C20H29N5O2S — CID 55832933

IUPAC[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone
SMILESCc1nc(N2CCN(C(=O)N3CCOCC3)CC2)c2c(CC(C)C)csc2n1
InChIInChI=1S/C20H29N5O2S/c1-14(2)12-16-13-28-19-17(16)18(21-15(3)22-19)23-4-6-24(7-5-23)20(26)25-8-10-27-11-9-25/h13-14H,4-12H2,1-3H3
InChIKeyCLHHOEVMJFBDQV-UHFFFAOYSA-N
MW403.55 g/mol
LogP2.77
Rot. Bonds3

About [4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone

[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone (PubChem CID 55832933) has the molecular formula C20H29N5O2S and a molecular weight of 403.55 g/mol. Its IUPAC name is [4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone
PubChem CID55832933
Molecular FormulaC20H29N5O2S
Molecular Weight403.55 g/mol
Exact Mass403.20
IUPAC Name[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone
SMILESCc1nc(N2CCN(C(=O)N3CCOCC3)CC2)c2c(CC(C)C)csc2n1
InChIInChI=1S/C20H29N5O2S/c1-14(2)12-16-13-28-19-17(16)18(21-15(3)22-19)23-4-6-24(7-5-23)20(26)25-8-10-27-11-9-25/h13-14H,4-12H2,1-3H3
InChIKeyCLHHOEVMJFBDQV-UHFFFAOYSA-N
XLogP2.77
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-5-(2-methylpropyl)-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 55824179
2-[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 55832510
1-[2-[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 133276681
4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]morpholine-3-carboxamide
CID 75499749
2-methyl-5-(2-methylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 55824060
5-methyl-3-[[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2-oxazole
CID 55832637
3-methyl-1-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-one
CID 133497396
4-[2-amino-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 71513876
2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 75510015
5-[(3S)-1-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
CID 100758075
5-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide
CID 133380617
[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 133373263

Frequently Asked Questions

What is the IUPAC name of [4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone (CID 55832933) is [4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone is Cc1nc(N2CCN(C(=O)N3CCOCC3)CC2)c2c(CC(C)C)csc2n1.
What is the InChIKey of [4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is CLHHOEVMJFBDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2S/c1-14(2)12-16-13-28-19-17(16)18(21-15(3)22-19)23-4-6-24(7-5-23)20(26)25-8-10-27-11-9-25/h13-14H,4-12H2,1-3H3.
What are the key properties of [4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone?
[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 403.55 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 55832933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).