1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-N-methyl-N-[(1-methylimidazol-4-yl)methyl]methanamine

C17H21ClN6OS — CID 86623542

IUPAC1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-N-methyl-N-[(1-methylimidazol-4-yl)methyl]methanamine
SMILESCN(Cc1cn(C)cn1)Cc1cc2nc(Cl)nc(N3CCOCC3)c2s1
InChIInChI=1S/C17H21ClN6OS/c1-22(8-12-9-23(2)11-19-12)10-13-7-14-15(26-13)16(21-17(18)20-14)24-3-5-25-6-4-24/h7,9,11H,3-6,8,10H2,1-2H3
InChIKeyURNTWHJHYHDRHW-UHFFFAOYSA-N
MW392.92 g/mol
LogP2.55
Rot. Bonds5

About 1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-N-methyl-N-[(1-methylimidazol-4-yl)methyl]methanamine

1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-N-methyl-N-[(1-methylimidazol-4-yl)methyl]methanamine (PubChem CID 86623542) has the molecular formula C17H21ClN6OS and a molecular weight of 392.92 g/mol. Its IUPAC name is 1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-N-methyl-N-[(1-methylimidazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-N-methyl-N-[(1-methylimidazol-4-yl)methyl]methanamine
PubChem CID86623542
Molecular FormulaC17H21ClN6OS
Molecular Weight392.92 g/mol
Exact Mass392.12
IUPAC Name1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-N-methyl-N-[(1-methylimidazol-4-yl)methyl]methanamine
SMILESCN(Cc1cn(C)cn1)Cc1cc2nc(Cl)nc(N3CCOCC3)c2s1
InChIInChI=1S/C17H21ClN6OS/c1-22(8-12-9-23(2)11-19-12)10-13-7-14-15(26-13)16(21-17(18)20-14)24-3-5-25-6-4-24/h7,9,11H,3-6,8,10H2,1-2H3
InChIKeyURNTWHJHYHDRHW-UHFFFAOYSA-N
XLogP2.55
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.92
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[2-chloro-6-(chloromethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 66553795
N-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-2-morpholin-4-ylethanamine
CID 86619261
ethyl 2-[4-[[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl-methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxylate
CID 86682106
3-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methylamino]-N,N-dimethylpropane-1-sulfonamide
CID 86618450
4-[2-chloro-6-(pyridin-4-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 86618427
1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine
CID 57493974
4-[2-chloro-6-[[3,5-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 76543090
2-[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-2-methylpropan-1-ol
CID 57493976
4-(2-chloro-6-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)morpholine
CID 138682176
2-[[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]methyl]pyridin-3-ol
CID 140527315
5-[6-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 58234015
1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-2-methylpropan-2-ol
CID 59829302

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-N-methyl-N-[(1-methylimidazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-N-methyl-N-[(1-methylimidazol-4-yl)methyl]methanamine (CID 86623542) is 1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-N-methyl-N-[(1-methylimidazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-N-methyl-N-[(1-methylimidazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-N-methyl-N-[(1-methylimidazol-4-yl)methyl]methanamine is CN(Cc1cn(C)cn1)Cc1cc2nc(Cl)nc(N3CCOCC3)c2s1.
What is the InChIKey of 1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-N-methyl-N-[(1-methylimidazol-4-yl)methyl]methanamine?
The InChIKey is URNTWHJHYHDRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN6OS/c1-22(8-12-9-23(2)11-19-12)10-13-7-14-15(26-13)16(21-17(18)20-14)24-3-5-25-6-4-24/h7,9,11H,3-6,8,10H2,1-2H3.
What are the key properties of 1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-N-methyl-N-[(1-methylimidazol-4-yl)methyl]methanamine?
1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-N-methyl-N-[(1-methylimidazol-4-yl)methyl]methanamine has a molecular weight of 392.92 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-N-methyl-N-[(1-methylimidazol-4-yl)methyl]methanamine is sourced from PubChem (CID 86623542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).