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

C22H30N4O — CID 109332449

IUPACN-cycloheptyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCCCC2)nc(NCCCc2ccccc2)n1
InChIInChI=1S/C22H30N4O/c1-17-16-20(21(27)25-19-13-7-2-3-8-14-19)26-22(24-17)23-15-9-12-18-10-5-4-6-11-18/h4-6,10-11,16,19H,2-3,7-9,12-15H2,1H3,(H,25,27)(H,23,24,26)
InChIKeyRVKSTWLAEGIELP-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.28
Rot. Bonds7

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

N-cycloheptyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide (PubChem CID 109332449) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-cycloheptyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
PubChem CID109332449
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN-cycloheptyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCCCC2)nc(NCCCc2ccccc2)n1
InChIInChI=1S/C22H30N4O/c1-17-16-20(21(27)25-19-13-7-2-3-8-14-19)26-22(24-17)23-15-9-12-18-10-5-4-6-11-18/h4-6,10-11,16,19H,2-3,7-9,12-15H2,1H3,(H,25,27)(H,23,24,26)
InChIKeyRVKSTWLAEGIELP-UHFFFAOYSA-N
XLogP4.28
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.28
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-cyclohexyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109322833
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-cycloheptyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide (CID 109332449) is N-cycloheptyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide is Cc1cc(C(=O)NC2CCCCCC2)nc(NCCCc2ccccc2)n1.
What is the InChIKey of N-cycloheptyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide?
The InChIKey is RVKSTWLAEGIELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-17-16-20(21(27)25-19-13-7-2-3-8-14-19)26-22(24-17)23-15-9-12-18-10-5-4-6-11-18/h4-6,10-11,16,19H,2-3,7-9,12-15H2,1H3,(H,25,27)(H,23,24,26).
What are the key properties of N-cycloheptyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide?
N-cycloheptyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109332449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).