2-anilino-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrimidine-5-carboxamide

C16H19N5O2 — CID 72843392

IUPAC2-anilino-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrimidine-5-carboxamide
SMILESCC(C)NC(=O)CNC(=O)c1cnc(Nc2ccccc2)nc1
InChIInChI=1S/C16H19N5O2/c1-11(2)20-14(22)10-17-15(23)12-8-18-16(19-9-12)21-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3,(H,17,23)(H,20,22)(H,18,19,21)
InChIKeyUDXYJGCXRSQWAL-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.47
Rot. Bonds6

About 2-anilino-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrimidine-5-carboxamide

2-anilino-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrimidine-5-carboxamide (PubChem CID 72843392) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-anilino-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-anilino-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrimidine-5-carboxamide
PubChem CID72843392
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name2-anilino-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrimidine-5-carboxamide
SMILESCC(C)NC(=O)CNC(=O)c1cnc(Nc2ccccc2)nc1
InChIInChI=1S/C16H19N5O2/c1-11(2)20-14(22)10-17-15(23)12-8-18-16(19-9-12)21-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3,(H,17,23)(H,20,22)(H,18,19,21)
InChIKeyUDXYJGCXRSQWAL-UHFFFAOYSA-N
XLogP1.47
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-anilino-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248518
2-(4-tert-butylanilino)-N-propan-2-ylpyrimidine-5-carboxamide
CID 109246976
6-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid
CID 43429243
2-anilino-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256919
2-anilino-N-[3-(4-methylpiperazin-1-yl)butyl]pyrimidine-5-carboxamide
CID 74246836
2-(4-acetamidoanilino)-N-benzylpyrimidine-5-carboxamide
CID 109255327
N-(2-methylpropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide
CID 109248589
N-butan-2-yl-2-(4-phenoxyanilino)pyrimidine-5-carboxamide
CID 109248974
2-anilino-N-[2-(2-fluorophenyl)-2-hydroxyethyl]pyrimidine-5-carboxamide
CID 74237551
2-anilino-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide
CID 97126626
2-anilino-N-(2-propan-2-yl-1,2,4-triazol-3-yl)pyrimidine-5-carboxamide
CID 156585293
2-anilino-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 97444562

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-anilino-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrimidine-5-carboxamide (CID 72843392) is 2-anilino-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-anilino-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-anilino-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrimidine-5-carboxamide is CC(C)NC(=O)CNC(=O)c1cnc(Nc2ccccc2)nc1.
What is the InChIKey of 2-anilino-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrimidine-5-carboxamide?
The InChIKey is UDXYJGCXRSQWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-11(2)20-14(22)10-17-15(23)12-8-18-16(19-9-12)21-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3,(H,17,23)(H,20,22)(H,18,19,21).
What are the key properties of 2-anilino-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrimidine-5-carboxamide?
2-anilino-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrimidine-5-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 72843392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).