2-anilino-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]pyrimidine-5-carboxamide

C19H20N6O2 — CID 72913236

IUPAC2-anilino-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]pyrimidine-5-carboxamide
SMILESCc1cc(C)n(CCNC(=O)c2cnc(Nc3ccccc3)nc2)c(=O)n1
InChIInChI=1S/C19H20N6O2/c1-13-10-14(2)25(19(27)23-13)9-8-20-17(26)15-11-21-18(22-12-15)24-16-6-4-3-5-7-16/h3-7,10-12H,8-9H2,1-2H3,(H,20,26)(H,21,22,24)
InChIKeyTXGIUNVJTXBRFF-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.82
Rot. Bonds6

About 2-anilino-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]pyrimidine-5-carboxamide

2-anilino-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]pyrimidine-5-carboxamide (PubChem CID 72913236) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-anilino-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-anilino-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]pyrimidine-5-carboxamide
PubChem CID72913236
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name2-anilino-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]pyrimidine-5-carboxamide
SMILESCc1cc(C)n(CCNC(=O)c2cnc(Nc3ccccc3)nc2)c(=O)n1
InChIInChI=1S/C19H20N6O2/c1-13-10-14(2)25(19(27)23-13)9-8-20-17(26)15-11-21-18(22-12-15)24-16-6-4-3-5-7-16/h3-7,10-12H,8-9H2,1-2H3,(H,20,26)(H,21,22,24)
InChIKeyTXGIUNVJTXBRFF-UHFFFAOYSA-N
XLogP1.82
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-(2-methylprop-2-enoxy)benzamide
CID 46985669
3-(2-amino-5-methyl-3-pyridinyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]benzamide
CID 169420165
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 156585394
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-morpholin-4-ylbenzamide
CID 131942685
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-(4,5-dimethylpyridazin-3-yl)benzamide
CID 163307472
2-anilino-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248518
2-(3-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259417
2-anilino-N-[3-(4-methylpiperazin-1-yl)butyl]pyrimidine-5-carboxamide
CID 74246836
2-anilino-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrimidine-5-carboxamide
CID 72843392
2-anilino-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256919
2-(3-acetamidoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259469
2-anilino-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pyrimidine-5-carboxamide
CID 74240978

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-anilino-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]pyrimidine-5-carboxamide (CID 72913236) is 2-anilino-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-anilino-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-anilino-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]pyrimidine-5-carboxamide is Cc1cc(C)n(CCNC(=O)c2cnc(Nc3ccccc3)nc2)c(=O)n1.
What is the InChIKey of 2-anilino-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is TXGIUNVJTXBRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-13-10-14(2)25(19(27)23-13)9-8-20-17(26)15-11-21-18(22-12-15)24-16-6-4-3-5-7-16/h3-7,10-12H,8-9H2,1-2H3,(H,20,26)(H,21,22,24).
What are the key properties of 2-anilino-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]pyrimidine-5-carboxamide?
2-anilino-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 72913236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).