3-amino-N-[4-(2-amino-6-methylpyrimidin-4-yl)-3-pyridinyl]-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide

C19H16N8OS — CID 127032072

IUPAC3-amino-N-[4-(2-amino-6-methylpyrimidin-4-yl)-3-pyridinyl]-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCc1cc(-c2ccncc2NC(=O)c2nc(-c3nccs3)ccc2N)nc(N)n1
InChIInChI=1S/C19H16N8OS/c1-10-8-14(27-19(21)24-10)11-4-5-22-9-15(11)26-17(28)16-12(20)2-3-13(25-16)18-23-6-7-29-18/h2-9H,20H2,1H3,(H,26,28)(H2,21,24,27)
InChIKeyKSCWGDPPXFFNAQ-UHFFFAOYSA-N
MW404.46 g/mol
LogP2.78
Rot. Bonds4

About 3-amino-N-[4-(2-amino-6-methylpyrimidin-4-yl)-3-pyridinyl]-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide

3-amino-N-[4-(2-amino-6-methylpyrimidin-4-yl)-3-pyridinyl]-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide (PubChem CID 127032072) has the molecular formula C19H16N8OS and a molecular weight of 404.46 g/mol. Its IUPAC name is 3-amino-N-[4-(2-amino-6-methylpyrimidin-4-yl)-3-pyridinyl]-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(2-amino-6-methylpyrimidin-4-yl)-3-pyridinyl]-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide
PubChem CID127032072
Molecular FormulaC19H16N8OS
Molecular Weight404.46 g/mol
Exact Mass404.12
IUPAC Name3-amino-N-[4-(2-amino-6-methylpyrimidin-4-yl)-3-pyridinyl]-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCc1cc(-c2ccncc2NC(=O)c2nc(-c3nccs3)ccc2N)nc(N)n1
InChIInChI=1S/C19H16N8OS/c1-10-8-14(27-19(21)24-10)11-4-5-22-9-15(11)26-17(28)16-12(20)2-3-13(25-16)18-23-6-7-29-18/h2-9H,20H2,1H3,(H,26,28)(H2,21,24,27)
InChIKeyKSCWGDPPXFFNAQ-UHFFFAOYSA-N
XLogP2.78
TPSA145.59 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(2-amino-6-methylpyrimidin-4-yl)-3-pyridinyl]-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[4-(2-amino-6-methylpyrimidin-4-yl)-3-pyridinyl]-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide (CID 127032072) is 3-amino-N-[4-(2-amino-6-methylpyrimidin-4-yl)-3-pyridinyl]-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(2-amino-6-methylpyrimidin-4-yl)-3-pyridinyl]-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-(2-amino-6-methylpyrimidin-4-yl)-3-pyridinyl]-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide is Cc1cc(-c2ccncc2NC(=O)c2nc(-c3nccs3)ccc2N)nc(N)n1.
What is the InChIKey of 3-amino-N-[4-(2-amino-6-methylpyrimidin-4-yl)-3-pyridinyl]-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is KSCWGDPPXFFNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N8OS/c1-10-8-14(27-19(21)24-10)11-4-5-22-9-15(11)26-17(28)16-12(20)2-3-13(25-16)18-23-6-7-29-18/h2-9H,20H2,1H3,(H,26,28)(H2,21,24,27).
What are the key properties of 3-amino-N-[4-(2-amino-6-methylpyrimidin-4-yl)-3-pyridinyl]-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
3-amino-N-[4-(2-amino-6-methylpyrimidin-4-yl)-3-pyridinyl]-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 404.46 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(2-amino-6-methylpyrimidin-4-yl)-3-pyridinyl]-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 127032072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).