N-cycloheptyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide

C20H26N4O — CID 109304746

IUPACN-cycloheptyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide
SMILESCC(Nc1nccc(C(=O)NC2CCCCCC2)n1)c1ccccc1
InChIInChI=1S/C20H26N4O/c1-15(16-9-5-4-6-10-16)22-20-21-14-13-18(24-20)19(25)23-17-11-7-2-3-8-12-17/h4-6,9-10,13-15,17H,2-3,7-8,11-12H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyHJJUMHGGNDYZRJ-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.10
Rot. Bonds5

About N-cycloheptyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide

N-cycloheptyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide (PubChem CID 109304746) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is N-cycloheptyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide
PubChem CID109304746
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC NameN-cycloheptyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide
SMILESCC(Nc1nccc(C(=O)NC2CCCCCC2)n1)c1ccccc1
InChIInChI=1S/C20H26N4O/c1-15(16-9-5-4-6-10-16)22-20-21-14-13-18(24-20)19(25)23-17-11-7-2-3-8-12-17/h4-6,9-10,13-15,17H,2-3,7-8,11-12H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyHJJUMHGGNDYZRJ-UHFFFAOYSA-N
XLogP4.10
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304745
N-cyclohexyl-5-(1-phenylethylamino)pyridine-2-carboxamide
CID 109182921
2-N-cyclopentyl-6-N-(1-phenylethyl)pyridine-2,6-dicarboxamide
CID 109094954
2-(benzylamino)-N-cycloheptylpyrimidine-4-carboxamide
CID 109303634
N-cyclohexyl-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298589
N-cycloheptyl-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311427
N-(2-methoxyethyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109299802
N-cyclohexyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109298869
N-cyclopentyl-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109298132
2-(1-phenylethylamino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109296133
N-cyclohexyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109298788
N-cyclohexyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109298801

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide (CID 109304746) is N-cycloheptyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide is CC(Nc1nccc(C(=O)NC2CCCCCC2)n1)c1ccccc1.
What is the InChIKey of N-cycloheptyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide?
The InChIKey is HJJUMHGGNDYZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-15(16-9-5-4-6-10-16)22-20-21-14-13-18(24-20)19(25)23-17-11-7-2-3-8-12-17/h4-6,9-10,13-15,17H,2-3,7-8,11-12H2,1H3,(H,23,25)(H,21,22,24).
What are the key properties of N-cycloheptyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide?
N-cycloheptyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109304746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).