6-(cycloheptylamino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide

C23H30N4O2 — CID 112853574

IUPAC6-(cycloheptylamino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(NC2CCCCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H30N4O2/c28-23(24-16-19-13-8-14-29-19)20-15-21(25-18-11-6-1-2-7-12-18)27-22(26-20)17-9-4-3-5-10-17/h3-5,9-10,15,18-19H,1-2,6-8,11-14,16H2,(H,24,28)(H,25,26,27)
InChIKeyLNSQDPCCWFTKLT-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.19
Rot. Bonds6

About 6-(cycloheptylamino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide

6-(cycloheptylamino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112853574) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 6-(cycloheptylamino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cycloheptylamino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide
PubChem CID112853574
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name6-(cycloheptylamino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(NC2CCCCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H30N4O2/c28-23(24-16-19-13-8-14-29-19)20-15-21(25-18-11-6-1-2-7-12-18)27-22(26-20)17-9-4-3-5-10-17/h3-5,9-10,15,18-19H,1-2,6-8,11-14,16H2,(H,24,28)(H,25,26,27)
InChIKeyLNSQDPCCWFTKLT-UHFFFAOYSA-N
XLogP4.19
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853587
4-N-cycloheptyl-6-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880638
N-(oxolan-2-ylmethyl)-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 112853570
N-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852793
6-(cyclopentylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112852816
6-(cyclopentylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 112852815
N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093732
N-benzyl-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112851716
N-(oxolan-2-ylmethyl)-5-phenylpyridine-2-carboxamide
CID 110683568
N-(4-methylphenyl)-6-(oxolan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853553
5-(cyclohexylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109183069
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561

Frequently Asked Questions

What is the IUPAC name of 6-(cycloheptylamino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(cycloheptylamino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide (CID 112853574) is 6-(cycloheptylamino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cycloheptylamino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(cycloheptylamino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide is O=C(NCC1CCCO1)c1cc(NC2CCCCCC2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(cycloheptylamino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is LNSQDPCCWFTKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c28-23(24-16-19-13-8-14-29-19)20-15-21(25-18-11-6-1-2-7-12-18)27-22(26-20)17-9-4-3-5-10-17/h3-5,9-10,15,18-19H,1-2,6-8,11-14,16H2,(H,24,28)(H,25,26,27).
What are the key properties of 6-(cycloheptylamino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide?
6-(cycloheptylamino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cycloheptylamino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112853574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).