N-cyclopropyl-6-(diethylamino)-2-phenylpyrimidine-4-carboxamide

C18H22N4O — CID 112851882

IUPACN-cyclopropyl-6-(diethylamino)-2-phenylpyrimidine-4-carboxamide
SMILESCCN(CC)c1cc(C(=O)NC2CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H22N4O/c1-3-22(4-2)16-12-15(18(23)19-14-10-11-14)20-17(21-16)13-8-6-5-7-9-13/h5-9,12,14H,3-4,10-11H2,1-2H3,(H,19,23)
InChIKeyOOYVMFGQLYPPKU-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.88
Rot. Bonds6

About N-cyclopropyl-6-(diethylamino)-2-phenylpyrimidine-4-carboxamide

N-cyclopropyl-6-(diethylamino)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112851882) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-cyclopropyl-6-(diethylamino)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-(diethylamino)-2-phenylpyrimidine-4-carboxamide
PubChem CID112851882
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-cyclopropyl-6-(diethylamino)-2-phenylpyrimidine-4-carboxamide
SMILESCCN(CC)c1cc(C(=O)NC2CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H22N4O/c1-3-22(4-2)16-12-15(18(23)19-14-10-11-14)20-17(21-16)13-8-6-5-7-9-13/h5-9,12,14H,3-4,10-11H2,1-2H3,(H,19,23)
InChIKeyOOYVMFGQLYPPKU-UHFFFAOYSA-N
XLogP2.88
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-6-(N-ethyl-3-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112851951
N-cyclohexyl-6-(diethylamino)-2-methylpyrimidine-4-carboxamide
CID 109363988
6-[benzyl(ethyl)amino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853212
N-cyclopropyl-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112851897
N-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852793
6-(4-acetylanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
CID 112851934
N-cyclopentyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide
CID 112852847
N,N-diethyl-2,6-diphenylpyrimidin-4-amine
CID 2057498
6-(benzylamino)-N-cyclopentyl-2-phenylpyrimidine-4-carboxamide
CID 112852853
6-(tert-butylamino)-N-cyclohexyl-2-phenylpyrimidine-4-carboxamide
CID 112853019
6-[(4-chlorophenyl)methylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
CID 112851859
N-cyclopropyl-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 112851864

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-(diethylamino)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-6-(diethylamino)-2-phenylpyrimidine-4-carboxamide (CID 112851882) is N-cyclopropyl-6-(diethylamino)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-(diethylamino)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-6-(diethylamino)-2-phenylpyrimidine-4-carboxamide is CCN(CC)c1cc(C(=O)NC2CC2)nc(-c2ccccc2)n1.
What is the InChIKey of N-cyclopropyl-6-(diethylamino)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is OOYVMFGQLYPPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-3-22(4-2)16-12-15(18(23)19-14-10-11-14)20-17(21-16)13-8-6-5-7-9-13/h5-9,12,14H,3-4,10-11H2,1-2H3,(H,19,23).
What are the key properties of N-cyclopropyl-6-(diethylamino)-2-phenylpyrimidine-4-carboxamide?
N-cyclopropyl-6-(diethylamino)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-(diethylamino)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112851882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).