N-[(3-methylphenyl)methyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine

C25H20N4S — CID 166060910

IUPACN-[(3-methylphenyl)methyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cccc(CNc2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)c1
InChIInChI=1S/C25H20N4S/c1-17-8-7-9-18(14-17)15-27-24-22-20(19-10-3-2-4-11-19)16-30-25(22)29-23(28-24)21-12-5-6-13-26-21/h2-14,16H,15H2,1H3,(H,27,28,29)
InChIKeyKDAPVLRRQISWLE-UHFFFAOYSA-N
MW408.53 g/mol
LogP6.34
Rot. Bonds5

About N-[(3-methylphenyl)methyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine

N-[(3-methylphenyl)methyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 166060910) has the molecular formula C25H20N4S and a molecular weight of 408.53 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID166060910
Molecular FormulaC25H20N4S
Molecular Weight408.53 g/mol
Exact Mass408.14
IUPAC NameN-[(3-methylphenyl)methyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cccc(CNc2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)c1
InChIInChI=1S/C25H20N4S/c1-17-8-7-9-18(14-17)15-27-24-22-20(19-10-3-2-4-11-19)16-30-25(22)29-23(28-24)21-12-5-6-13-26-21/h2-14,16H,15H2,1H3,(H,27,28,29)
InChIKeyKDAPVLRRQISWLE-UHFFFAOYSA-N
XLogP6.34
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.53
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 9310948
3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 9280455
[4-[[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]sulfamic acid
CID 166061008
5-phenyl-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9280016
3-[[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]benzamide
CID 133278970
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
2-methoxy-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 11360029
5-chloro-N-[(3,4-dichlorophenyl)methyl]-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 18460090
4-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine
CID 9196216
5-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-2-carbonitrile
CID 67382151
5-phenyl-N-(pyridin-2-ylmethyl)-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
CID 68623687
N-[3-[[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]acetamide
CID 133279040

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(3-methylphenyl)methyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 166060910) is N-[(3-methylphenyl)methyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3-methylphenyl)methyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine is Cc1cccc(CNc2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KDAPVLRRQISWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4S/c1-17-8-7-9-18(14-17)15-27-24-22-20(19-10-3-2-4-11-19)16-30-25(22)29-23(28-24)21-12-5-6-13-26-21/h2-14,16H,15H2,1H3,(H,27,28,29).
What are the key properties of N-[(3-methylphenyl)methyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
N-[(3-methylphenyl)methyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 408.53 g/mol, XLogP of 6.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 166060910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).