2-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine

C23H18N6S — CID 58578158

IUPAC2-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine
SMILESCc1csc(-c2cccc(-c3nc(NCc4ccncc4)c4ccncc4n3)c2)n1
InChIInChI=1S/C23H18N6S/c1-15-14-30-23(27-15)18-4-2-3-17(11-18)21-28-20-13-25-10-7-19(20)22(29-21)26-12-16-5-8-24-9-6-16/h2-11,13-14H,12H2,1H3,(H,26,28,29)
InChIKeySJXLAKJCTXREMM-UHFFFAOYSA-N
MW410.51 g/mol
LogP5.13
Rot. Bonds5

About 2-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine

2-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 58578158) has the molecular formula C23H18N6S and a molecular weight of 410.51 g/mol. Its IUPAC name is 2-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine
PubChem CID58578158
Molecular FormulaC23H18N6S
Molecular Weight410.51 g/mol
Exact Mass410.13
IUPAC Name2-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine
SMILESCc1csc(-c2cccc(-c3nc(NCc4ccncc4)c4ccncc4n3)c2)n1
InChIInChI=1S/C23H18N6S/c1-15-14-30-23(27-15)18-4-2-3-17(11-18)21-28-20-13-25-10-7-19(20)22(29-21)26-12-16-5-8-24-9-6-16/h2-11,13-14H,12H2,1H3,(H,26,28,29)
InChIKeySJXLAKJCTXREMM-UHFFFAOYSA-N
XLogP5.13
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.51
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

2-[3-(2-methyl-3-pyridinyl)phenyl]-N-(pyridin-4-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine
CID 58578167
propan-2-yl 3-[4-(pyridin-4-ylmethylamino)pyrido[3,4-d]pyrimidin-2-yl]benzoate
CID 58578166
1-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 56823567
N-propyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
CID 135368629
4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride
CID 54605031
2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine
CID 10154692
2-N,2-N,2-trimethyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 135368085
N-[(4-methylphenyl)methyl]-2-phenylquinazolin-4-amine
CID 11631224
2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-1-ol
CID 135368371
N-benzyl-7-fluoro-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride
CID 19392183
2-methyl-4-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)pentane-2,4-diamine
CID 152578272
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9251567

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine (CID 58578158) is 2-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine is Cc1csc(-c2cccc(-c3nc(NCc4ccncc4)c4ccncc4n3)c2)n1.
What is the InChIKey of 2-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is SJXLAKJCTXREMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6S/c1-15-14-30-23(27-15)18-4-2-3-17(11-18)21-28-20-13-25-10-7-19(20)22(29-21)26-12-16-5-8-24-9-6-16/h2-11,13-14H,12H2,1H3,(H,26,28,29).
What are the key properties of 2-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine?
2-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 410.51 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 58578158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).