N,N-diethyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide

C12H20N4O — CID 109295192

IUPACN,N-diethyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1ccnc(NC(C)C)n1
InChIInChI=1S/C12H20N4O/c1-5-16(6-2)11(17)10-7-8-13-12(15-10)14-9(3)4/h7-9H,5-6H2,1-4H3,(H,13,14,15)
InChIKeySCJHUKWATKYEID-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.78
Rot. Bonds5

About N,N-diethyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide

N,N-diethyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide (PubChem CID 109295192) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N,N-diethyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
PubChem CID109295192
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN,N-diethyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1ccnc(NC(C)C)n1
InChIInChI=1S/C12H20N4O/c1-5-16(6-2)11(17)10-7-8-13-12(15-10)14-9(3)4/h7-9H,5-6H2,1-4H3,(H,13,14,15)
InChIKeySCJHUKWATKYEID-UHFFFAOYSA-N
XLogP1.78
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(propan-2-ylamino)pyrimidine-4-carboxylic acid
CID 107553189
2-(4-bromoanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109310871
N,N-diethyl-2-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109310906
N-[(4-methylphenyl)methyl]-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109295146
2-(3-methylbutylamino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109311740
2-(3-chloro-4-fluoroanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109310867
2-(butan-2-ylamino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109297170
N,N-diethyl-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109310878
ethyl 4-[2-(propan-2-ylamino)pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109295181
2-[benzyl(methyl)amino]-N,N-diethylpyrimidine-4-carboxamide
CID 109305008
2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]propanoic acid
CID 43517392
N-ethyl-N-(2-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 115498522

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of N,N-diethyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide (CID 109295192) is N,N-diethyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N,N-diethyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide is CCN(CC)C(=O)c1ccnc(NC(C)C)n1.
What is the InChIKey of N,N-diethyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide?
The InChIKey is SCJHUKWATKYEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-5-16(6-2)11(17)10-7-8-13-12(15-10)14-9(3)4/h7-9H,5-6H2,1-4H3,(H,13,14,15).
What are the key properties of N,N-diethyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide?
N,N-diethyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109295192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).