6-(cyclopropylamino)-2-phenyl-N,N-dipropylpyrimidine-4-carboxamide

C20H26N4O — CID 112851758

IUPAC6-(cyclopropylamino)-2-phenyl-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(NC2CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H26N4O/c1-3-12-24(13-4-2)20(25)17-14-18(21-16-10-11-16)23-19(22-17)15-8-6-5-7-9-15/h5-9,14,16H,3-4,10-13H2,1-2H3,(H,21,22,23)
InChIKeyALKVPSGTVYSXIT-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.98
Rot. Bonds8

About 6-(cyclopropylamino)-2-phenyl-N,N-dipropylpyrimidine-4-carboxamide

6-(cyclopropylamino)-2-phenyl-N,N-dipropylpyrimidine-4-carboxamide (PubChem CID 112851758) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 6-(cyclopropylamino)-2-phenyl-N,N-dipropylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylamino)-2-phenyl-N,N-dipropylpyrimidine-4-carboxamide
PubChem CID112851758
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name6-(cyclopropylamino)-2-phenyl-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(NC2CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H26N4O/c1-3-12-24(13-4-2)20(25)17-14-18(21-16-10-11-16)23-19(22-17)15-8-6-5-7-9-15/h5-9,14,16H,3-4,10-13H2,1-2H3,(H,21,22,23)
InChIKeyALKVPSGTVYSXIT-UHFFFAOYSA-N
XLogP3.98
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112851716
1-[4-[6-(cyclopropylamino)-2-phenylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 112851714
6-(cyclopropylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 112851732
[6-(cyclopropylamino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112851698
4-N-cyclopropyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879169
6-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112851723
N-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852793
[6-(cyclopentylamino)-2-phenylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 112852804
6-(cyclopentylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112852816
6-(2-chloroanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide
CID 112854247
6-(4-acetylanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide
CID 112854257
6-(cyclopropylamino)-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4-carboxamide
CID 112851709

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylamino)-2-phenyl-N,N-dipropylpyrimidine-4-carboxamide?
The IUPAC name of 6-(cyclopropylamino)-2-phenyl-N,N-dipropylpyrimidine-4-carboxamide (CID 112851758) is 6-(cyclopropylamino)-2-phenyl-N,N-dipropylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cyclopropylamino)-2-phenyl-N,N-dipropylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(cyclopropylamino)-2-phenyl-N,N-dipropylpyrimidine-4-carboxamide is CCCN(CCC)C(=O)c1cc(NC2CC2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(cyclopropylamino)-2-phenyl-N,N-dipropylpyrimidine-4-carboxamide?
The InChIKey is ALKVPSGTVYSXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-3-12-24(13-4-2)20(25)17-14-18(21-16-10-11-16)23-19(22-17)15-8-6-5-7-9-15/h5-9,14,16H,3-4,10-13H2,1-2H3,(H,21,22,23).
What are the key properties of 6-(cyclopropylamino)-2-phenyl-N,N-dipropylpyrimidine-4-carboxamide?
6-(cyclopropylamino)-2-phenyl-N,N-dipropylpyrimidine-4-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylamino)-2-phenyl-N,N-dipropylpyrimidine-4-carboxamide is sourced from PubChem (CID 112851758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).