2-anilino-8-methyl-N-(1-methylpyrazol-3-yl)-5,7-dihydropyrano[4,3-d]pyrimidine-8-carboxamide

C19H20N6O2 — CID 134804987

IUPAC2-anilino-8-methyl-N-(1-methylpyrazol-3-yl)-5,7-dihydropyrano[4,3-d]pyrimidine-8-carboxamide
SMILESCn1ccc(NC(=O)C2(C)COCc3cnc(Nc4ccccc4)nc32)n1
InChIInChI=1S/C19H20N6O2/c1-19(17(26)22-15-8-9-25(2)24-15)12-27-11-13-10-20-18(23-16(13)19)21-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,20,21,23)(H,22,24,26)
InChIKeyZNQKQPDKLUHORJ-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.38
Rot. Bonds4

About 2-anilino-8-methyl-N-(1-methylpyrazol-3-yl)-5,7-dihydropyrano[4,3-d]pyrimidine-8-carboxamide

2-anilino-8-methyl-N-(1-methylpyrazol-3-yl)-5,7-dihydropyrano[4,3-d]pyrimidine-8-carboxamide (PubChem CID 134804987) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-anilino-8-methyl-N-(1-methylpyrazol-3-yl)-5,7-dihydropyrano[4,3-d]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2-anilino-8-methyl-N-(1-methylpyrazol-3-yl)-5,7-dihydropyrano[4,3-d]pyrimidine-8-carboxamide
PubChem CID134804987
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name2-anilino-8-methyl-N-(1-methylpyrazol-3-yl)-5,7-dihydropyrano[4,3-d]pyrimidine-8-carboxamide
SMILESCn1ccc(NC(=O)C2(C)COCc3cnc(Nc4ccccc4)nc32)n1
InChIInChI=1S/C19H20N6O2/c1-19(17(26)22-15-8-9-25(2)24-15)12-27-11-13-10-20-18(23-16(13)19)21-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,20,21,23)(H,22,24,26)
InChIKeyZNQKQPDKLUHORJ-UHFFFAOYSA-N
XLogP2.38
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-methyl-N-(1-methylpyrazol-3-yl)-5,7-dihydropyrano[4,3-d]pyrimidine-8-carboxamide?
The IUPAC name of 2-anilino-8-methyl-N-(1-methylpyrazol-3-yl)-5,7-dihydropyrano[4,3-d]pyrimidine-8-carboxamide (CID 134804987) is 2-anilino-8-methyl-N-(1-methylpyrazol-3-yl)-5,7-dihydropyrano[4,3-d]pyrimidine-8-carboxamide.
What is the SMILES notation for 2-anilino-8-methyl-N-(1-methylpyrazol-3-yl)-5,7-dihydropyrano[4,3-d]pyrimidine-8-carboxamide?
The canonical SMILES for 2-anilino-8-methyl-N-(1-methylpyrazol-3-yl)-5,7-dihydropyrano[4,3-d]pyrimidine-8-carboxamide is Cn1ccc(NC(=O)C2(C)COCc3cnc(Nc4ccccc4)nc32)n1.
What is the InChIKey of 2-anilino-8-methyl-N-(1-methylpyrazol-3-yl)-5,7-dihydropyrano[4,3-d]pyrimidine-8-carboxamide?
The InChIKey is ZNQKQPDKLUHORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-19(17(26)22-15-8-9-25(2)24-15)12-27-11-13-10-20-18(23-16(13)19)21-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,20,21,23)(H,22,24,26).
What are the key properties of 2-anilino-8-methyl-N-(1-methylpyrazol-3-yl)-5,7-dihydropyrano[4,3-d]pyrimidine-8-carboxamide?
2-anilino-8-methyl-N-(1-methylpyrazol-3-yl)-5,7-dihydropyrano[4,3-d]pyrimidine-8-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-methyl-N-(1-methylpyrazol-3-yl)-5,7-dihydropyrano[4,3-d]pyrimidine-8-carboxamide is sourced from PubChem (CID 134804987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).