1-cyclohexyl-N-methyl-N-[[2-(2-methylpyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-amine

C28H39N7OS — CID 143690163

IUPAC1-cyclohexyl-N-methyl-N-[[2-(2-methylpyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-amine
SMILESCc1ncc(-c2nc(N3CCOCC3)c3sc(CN(C)C4CCN(C5CCCCC5)CC4)cc3n2)cn1
InChIInChI=1S/C28H39N7OS/c1-20-29-17-21(18-30-20)27-31-25-16-24(37-26(25)28(32-27)35-12-14-36-15-13-35)19-33(2)22-8-10-34(11-9-22)23-6-4-3-5-7-23/h16-18,22-23H,3-15,19H2,1-2H3
InChIKeyWOIFJDWQYFWNRK-UHFFFAOYSA-N
MW521.74 g/mol
LogP4.52
Rot. Bonds6

About 1-cyclohexyl-N-methyl-N-[[2-(2-methylpyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-amine

1-cyclohexyl-N-methyl-N-[[2-(2-methylpyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-amine (PubChem CID 143690163) has the molecular formula C28H39N7OS and a molecular weight of 521.74 g/mol. Its IUPAC name is 1-cyclohexyl-N-methyl-N-[[2-(2-methylpyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-methyl-N-[[2-(2-methylpyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-amine
PubChem CID143690163
Molecular FormulaC28H39N7OS
Molecular Weight521.74 g/mol
Exact Mass521.29
IUPAC Name1-cyclohexyl-N-methyl-N-[[2-(2-methylpyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-amine
SMILESCc1ncc(-c2nc(N3CCOCC3)c3sc(CN(C)C4CCN(C5CCCCC5)CC4)cc3n2)cn1
InChIInChI=1S/C28H39N7OS/c1-20-29-17-21(18-30-20)27-31-25-16-24(37-26(25)28(32-27)35-12-14-36-15-13-35)19-33(2)22-8-10-34(11-9-22)23-6-4-3-5-7-23/h16-18,22-23H,3-15,19H2,1-2H3
InChIKeyWOIFJDWQYFWNRK-UHFFFAOYSA-N
XLogP4.52
TPSA70.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.74
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-cyclohexyl-N-methyl-N-[[2-(2-methylpyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,1-dimethyl-N-[(4-morpholin-4-yl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-amine
CID 58234054
3-[6-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
CID 11619051
1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-2-methylpropan-2-ol
CID 59829302
N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylethanesulfonamide
CID 59829265
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
4-[2-pyridin-3-yl-6-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24947793
N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-N-methylacetamide
CID 155516604
2-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-4-methylpyrimidine-5-carboxylic acid
CID 66977938
3-[6-[[4-(dimethylamino)piperidin-1-yl]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
CID 11496178
N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxy-N-methylacetamide
CID 155513047
2-[[2-(4-fluorophenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide
CID 46841804
1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-4-methylpiperidin-4-ol
CID 24946704

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-methyl-N-[[2-(2-methylpyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-cyclohexyl-N-methyl-N-[[2-(2-methylpyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-amine (CID 143690163) is 1-cyclohexyl-N-methyl-N-[[2-(2-methylpyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-cyclohexyl-N-methyl-N-[[2-(2-methylpyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-cyclohexyl-N-methyl-N-[[2-(2-methylpyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-amine is Cc1ncc(-c2nc(N3CCOCC3)c3sc(CN(C)C4CCN(C5CCCCC5)CC4)cc3n2)cn1.
What is the InChIKey of 1-cyclohexyl-N-methyl-N-[[2-(2-methylpyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-amine?
The InChIKey is WOIFJDWQYFWNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N7OS/c1-20-29-17-21(18-30-20)27-31-25-16-24(37-26(25)28(32-27)35-12-14-36-15-13-35)19-33(2)22-8-10-34(11-9-22)23-6-4-3-5-7-23/h16-18,22-23H,3-15,19H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-methyl-N-[[2-(2-methylpyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-amine?
1-cyclohexyl-N-methyl-N-[[2-(2-methylpyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-amine has a molecular weight of 521.74 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-methyl-N-[[2-(2-methylpyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 143690163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).