6-(aminomethyl)-7-(2-methoxy-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]thieno[3,2-d]pyrimidin-2-amine

C28H34N6O2S — CID 150131775

IUPAC6-(aminomethyl)-7-(2-methoxy-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]thieno[3,2-d]pyrimidin-2-amine
SMILESCOc1ncccc1-c1c(CN)sc2cnc(Nc3ccc(C4CCN(C)CC4)cc3OC(C)C)nc12
InChIInChI=1S/C28H34N6O2S/c1-17(2)36-22-14-19(18-9-12-34(3)13-10-18)7-8-21(22)32-28-31-16-24-26(33-28)25(23(15-29)37-24)20-6-5-11-30-27(20)35-4/h5-8,11,14,16-18H,9-10,12-13,15,29H2,1-4H3,(H,31,32,33)
InChIKeyFBKFZUREWMYWCB-UHFFFAOYSA-N
MW518.69 g/mol
LogP5.56
Rot. Bonds8

About 6-(aminomethyl)-7-(2-methoxy-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]thieno[3,2-d]pyrimidin-2-amine

6-(aminomethyl)-7-(2-methoxy-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]thieno[3,2-d]pyrimidin-2-amine (PubChem CID 150131775) has the molecular formula C28H34N6O2S and a molecular weight of 518.69 g/mol. Its IUPAC name is 6-(aminomethyl)-7-(2-methoxy-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]thieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-(aminomethyl)-7-(2-methoxy-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]thieno[3,2-d]pyrimidin-2-amine
PubChem CID150131775
Molecular FormulaC28H34N6O2S
Molecular Weight518.69 g/mol
Exact Mass518.25
IUPAC Name6-(aminomethyl)-7-(2-methoxy-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]thieno[3,2-d]pyrimidin-2-amine
SMILESCOc1ncccc1-c1c(CN)sc2cnc(Nc3ccc(C4CCN(C)CC4)cc3OC(C)C)nc12
InChIInChI=1S/C28H34N6O2S/c1-17(2)36-22-14-19(18-9-12-34(3)13-10-18)7-8-21(22)32-28-31-16-24-26(33-28)25(23(15-29)37-24)20-6-5-11-30-27(20)35-4/h5-8,11,14,16-18H,9-10,12-13,15,29H2,1-4H3,(H,31,32,33)
InChIKeyFBKFZUREWMYWCB-UHFFFAOYSA-N
XLogP5.56
TPSA98.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.69
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-(3-methoxyphenyl)thieno[3,2-d]pyrimidin-2-amine
CID 164615715
2-[4-(1-Methylpiperidin-4-yl)-2-propan-2-yloxyanilino]-7-[2-(trifluoromethoxy)phenyl]thieno[3,2-d]pyrimidine-6-carboxamide
CID 71747733
2-[5-Fluoro-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyanilino]-7-(2-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidine-6-carboxamide
CID 89823761
N4-[3-(dimethylamino)propyl]-6-(6-methoxy-3-pyridyl)-N2-methyl-thieno[3,2-d]pyrimidine-2,4-diamine
CID 76325260
N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-4-(2,4,6-trimethylphenoxy)thieno[3,2-d]pyrimidin-2-amine
CID 129907933
(NE)-N-[6-[(1-pyrimidin-4-ylpiperidin-4-yl)amino]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine
CID 137635028
3-ethoxy-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-piperidin-4-ylbenzamide
CID 162668508
N-[4-[[ethoxy(morpholin-4-yl)phosphoryl]methyl]phenyl]-7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-amine
CID 162671108
N-[3-[2-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
CID 52931724
6-(1,3-benzothiazol-6-yl)-2-methyl-N-[1-[3-(pyridin-3-ylmethoxy)phenyl]ethyl]pyrimidin-4-amine
CID 70978297
7-(2-Methoxyphenyl)-2-[[6-(1-methylpiperidin-4-yl)-4-propan-2-yloxy-3-pyridinyl]amino]thieno[3,2-d]pyrimidine-6-carboxamide
CID 71745386
2-[2-Methoxy-5-methyl-4-(1-methylpiperidin-4-yl)anilino]-7-phenylthieno[3,2-d]pyrimidine-6-carboxamide
CID 71747366

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-7-(2-methoxy-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]thieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of 6-(aminomethyl)-7-(2-methoxy-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]thieno[3,2-d]pyrimidin-2-amine (CID 150131775) is 6-(aminomethyl)-7-(2-methoxy-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]thieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 6-(aminomethyl)-7-(2-methoxy-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]thieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 6-(aminomethyl)-7-(2-methoxy-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]thieno[3,2-d]pyrimidin-2-amine is COc1ncccc1-c1c(CN)sc2cnc(Nc3ccc(C4CCN(C)CC4)cc3OC(C)C)nc12.
What is the InChIKey of 6-(aminomethyl)-7-(2-methoxy-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]thieno[3,2-d]pyrimidin-2-amine?
The InChIKey is FBKFZUREWMYWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O2S/c1-17(2)36-22-14-19(18-9-12-34(3)13-10-18)7-8-21(22)32-28-31-16-24-26(33-28)25(23(15-29)37-24)20-6-5-11-30-27(20)35-4/h5-8,11,14,16-18H,9-10,12-13,15,29H2,1-4H3,(H,31,32,33).
What are the key properties of 6-(aminomethyl)-7-(2-methoxy-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]thieno[3,2-d]pyrimidin-2-amine?
6-(aminomethyl)-7-(2-methoxy-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]thieno[3,2-d]pyrimidin-2-amine has a molecular weight of 518.69 g/mol, XLogP of 5.56, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-7-(2-methoxy-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]thieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 150131775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).