N-cyclohexyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide

C21H28N4O — CID 109322833

IUPACN-cyclohexyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCCC2)nc(NCCCc2ccccc2)n1
InChIInChI=1S/C21H28N4O/c1-16-15-19(20(26)24-18-12-6-3-7-13-18)25-21(23-16)22-14-8-11-17-9-4-2-5-10-17/h2,4-5,9-10,15,18H,3,6-8,11-14H2,1H3,(H,24,26)(H,22,23,25)
InChIKeyOKLLBBAPBLLZGY-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.89
Rot. Bonds7

About N-cyclohexyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide

N-cyclohexyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide (PubChem CID 109322833) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-cyclohexyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
PubChem CID109322833
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-cyclohexyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCCC2)nc(NCCCc2ccccc2)n1
InChIInChI=1S/C21H28N4O/c1-16-15-19(20(26)24-18-12-6-3-7-13-18)25-21(23-16)22-14-8-11-17-9-4-2-5-10-17/h2,4-5,9-10,15,18H,3,6-8,11-14H2,1H3,(H,24,26)(H,22,23,25)
InChIKeyOKLLBBAPBLLZGY-UHFFFAOYSA-N
XLogP3.89
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cycloheptyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109332449
N-(1,1-dioxothiolan-3-yl)-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109331362
2-[2-(3-chlorophenyl)ethylamino]-N-cyclopentyl-6-methylpyrimidine-4-carboxamide
CID 109322171
N-cyclopentyl-6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109322113
N-cyclohexyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109322838
N-cyclohexyl-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109322796
2-anilino-N-cyclopentyl-6-methylpyrimidine-4-carboxamide
CID 109322174
N-(2,5-dimethylphenyl)-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109332465
2-[benzyl(methyl)amino]-N-cyclohexyl-6-methylpyrimidine-4-carboxamide
CID 109322795
N-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109322159
N-[(2-chlorophenyl)methyl]-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109328902
N-cyclopentyl-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109273948

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide (CID 109322833) is N-cyclohexyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide is Cc1cc(C(=O)NC2CCCCC2)nc(NCCCc2ccccc2)n1.
What is the InChIKey of N-cyclohexyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide?
The InChIKey is OKLLBBAPBLLZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-16-15-19(20(26)24-18-12-6-3-7-13-18)25-21(23-16)22-14-8-11-17-9-4-2-5-10-17/h2,4-5,9-10,15,18H,3,6-8,11-14H2,1H3,(H,24,26)(H,22,23,25).
What are the key properties of N-cyclohexyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide?
N-cyclohexyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109322833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).