N-cycloheptyl-2-(cycloheptylamino)pyrimidine-4-carboxamide

C19H30N4O — CID 109311427

IUPACN-cycloheptyl-2-(cycloheptylamino)pyrimidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccnc(NC2CCCCCC2)n1
InChIInChI=1S/C19H30N4O/c24-18(21-15-9-5-1-2-6-10-15)17-13-14-20-19(23-17)22-16-11-7-3-4-8-12-16/h13-16H,1-12H2,(H,21,24)(H,20,22,23)
InChIKeyGVWDMMKMSRPJAP-UHFFFAOYSA-N
MW330.48 g/mol
LogP4.06
Rot. Bonds4

About N-cycloheptyl-2-(cycloheptylamino)pyrimidine-4-carboxamide

N-cycloheptyl-2-(cycloheptylamino)pyrimidine-4-carboxamide (PubChem CID 109311427) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is N-cycloheptyl-2-(cycloheptylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(cycloheptylamino)pyrimidine-4-carboxamide
PubChem CID109311427
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC NameN-cycloheptyl-2-(cycloheptylamino)pyrimidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccnc(NC2CCCCCC2)n1
InChIInChI=1S/C19H30N4O/c24-18(21-15-9-5-1-2-6-10-15)17-13-14-20-19(23-17)22-16-11-7-3-4-8-12-16/h13-16H,1-12H2,(H,21,24)(H,20,22,23)
InChIKeyGVWDMMKMSRPJAP-UHFFFAOYSA-N
XLogP4.06
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298589
2-(cycloheptylamino)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide
CID 109309208
N-tert-butyl-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298654
2-(cyclopentylamino)pyrimidine-4-carboxylic acid
CID 91076843
N-cycloheptyl-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299667
N-(4-acetamidophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298724
N-cyclopentyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109294728
N-cycloheptyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307486
2-(benzylamino)-N-cycloheptylpyrimidine-4-carboxamide
CID 109303634
N-(4-acetamidophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109297982
2-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide
CID 109298018
2-(4-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide
CID 109298906

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(cycloheptylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-2-(cycloheptylamino)pyrimidine-4-carboxamide (CID 109311427) is N-cycloheptyl-2-(cycloheptylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-(cycloheptylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-2-(cycloheptylamino)pyrimidine-4-carboxamide is O=C(NC1CCCCCC1)c1ccnc(NC2CCCCCC2)n1.
What is the InChIKey of N-cycloheptyl-2-(cycloheptylamino)pyrimidine-4-carboxamide?
The InChIKey is GVWDMMKMSRPJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c24-18(21-15-9-5-1-2-6-10-15)17-13-14-20-19(23-17)22-16-11-7-3-4-8-12-16/h13-16H,1-12H2,(H,21,24)(H,20,22,23).
What are the key properties of N-cycloheptyl-2-(cycloheptylamino)pyrimidine-4-carboxamide?
N-cycloheptyl-2-(cycloheptylamino)pyrimidine-4-carboxamide has a molecular weight of 330.48 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(cycloheptylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109311427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).