N-(3-chloro-4-methoxyphenyl)-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine

C19H15ClN4OS — CID 71691013

IUPACN-(3-chloro-4-methoxyphenyl)-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2nc(-c3cccnc3)nc3sc(C)cc23)cc1Cl
InChIInChI=1S/C19H15ClN4OS/c1-11-8-14-18(22-13-5-6-16(25-2)15(20)9-13)23-17(24-19(14)26-11)12-4-3-7-21-10-12/h3-10H,1-2H3,(H,22,23,24)
InChIKeyPELIIKUNEHPYRB-UHFFFAOYSA-N
MW382.88 g/mol
LogP5.47
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine

N-(3-chloro-4-methoxyphenyl)-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 71691013) has the molecular formula C19H15ClN4OS and a molecular weight of 382.88 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID71691013
Molecular FormulaC19H15ClN4OS
Molecular Weight382.88 g/mol
Exact Mass382.07
IUPAC NameN-(3-chloro-4-methoxyphenyl)-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2nc(-c3cccnc3)nc3sc(C)cc23)cc1Cl
InChIInChI=1S/C19H15ClN4OS/c1-11-8-14-18(22-13-5-6-16(25-2)15(20)9-13)23-17(24-19(14)26-11)12-4-3-7-21-10-12/h3-10H,1-2H3,(H,22,23,24)
InChIKeyPELIIKUNEHPYRB-UHFFFAOYSA-N
XLogP5.47
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.88
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxyphenyl)-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 71690984
N-(4-fluorophenyl)-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 71690988
2-benzyl-N-(3-chloro-4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91964960
7-chloro-N-(3,5-dichlorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71179804
6-chloro-N-(3-methoxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71274424
N-(3,4-dichlorophenyl)-6-ethoxy-7-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71180453
N-(3,5-dichlorophenyl)-6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-amine
CID 91965124
N-(4-chloro-3-methylphenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71274391
6-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71180077
N-(3,5-dichlorophenyl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 91965281
2-chloro-N-(3,4-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 82065955
N-(3-chloro-4-methylphenyl)-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine
CID 144501300

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine (CID 71691013) is N-(3-chloro-4-methoxyphenyl)-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine is COc1ccc(Nc2nc(-c3cccnc3)nc3sc(C)cc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is PELIIKUNEHPYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4OS/c1-11-8-14-18(22-13-5-6-16(25-2)15(20)9-13)23-17(24-19(14)26-11)12-4-3-7-21-10-12/h3-10H,1-2H3,(H,22,23,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
N-(3-chloro-4-methoxyphenyl)-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 382.88 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 71691013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).