N-[(R)-(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine

C28H23N7S — CID 95161136

IUPACN-[(R)-(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1nnc([C@H](Nc2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)c2ccccc2)n1C
InChIInChI=1S/C28H23N7S/c1-18-33-34-27(35(18)2)24(20-13-7-4-8-14-20)30-26-23-21(19-11-5-3-6-12-19)17-36-28(23)32-25(31-26)22-15-9-10-16-29-22/h3-17,24H,1-2H3,(H,30,31,32)/t24-/m1/s1
InChIKeySQZUWQUWECZXSX-XMMPIXPASA-N
MW489.61 g/mol
LogP6.06
Rot. Bonds6

About N-[(R)-(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine

N-[(R)-(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 95161136) has the molecular formula C28H23N7S and a molecular weight of 489.61 g/mol. Its IUPAC name is N-[(R)-(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(R)-(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID95161136
Molecular FormulaC28H23N7S
Molecular Weight489.61 g/mol
Exact Mass489.17
IUPAC NameN-[(R)-(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1nnc([C@H](Nc2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)c2ccccc2)n1C
InChIInChI=1S/C28H23N7S/c1-18-33-34-27(35(18)2)24(20-13-7-4-8-14-20)30-26-23-21(19-11-5-3-6-12-19)17-36-28(23)32-25(31-26)22-15-9-10-16-29-22/h3-17,24H,1-2H3,(H,30,31,32)/t24-/m1/s1
InChIKeySQZUWQUWECZXSX-XMMPIXPASA-N
XLogP6.06
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.61
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(R)-(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

(2S)-1-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 9310948
N-[(3-methylphenyl)methyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 166060910
3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 9280455
4-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine
CID 9196216
4-(4-methyl-1,4-diazepan-4-ium-1-yl)-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine
CID 9311493
5-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 24541698
1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 4788941
[4-[[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]sulfamic acid
CID 166061008
5-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 18224691
7-methyl-1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-5-one
CID 56803860
(3S,6R)-6-methyl-1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 51957204
1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-one
CID 149311701

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(R)-(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 95161136) is N-[(R)-(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(R)-(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(R)-(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine is Cc1nnc([C@H](Nc2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)c2ccccc2)n1C.
What is the InChIKey of N-[(R)-(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is SQZUWQUWECZXSX-XMMPIXPASA-N. The full InChI is InChI=1S/C28H23N7S/c1-18-33-34-27(35(18)2)24(20-13-7-4-8-14-20)30-26-23-21(19-11-5-3-6-12-19)17-36-28(23)32-25(31-26)22-15-9-10-16-29-22/h3-17,24H,1-2H3,(H,30,31,32)/t24-/m1/s1.
What are the key properties of N-[(R)-(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
N-[(R)-(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 489.61 g/mol, XLogP of 6.06, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 95161136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).