N-cyclohexyl-2-(cyclohexylamino)pyrimidine-4-carboxamide

C17H26N4O — CID 109298589

IUPACN-cyclohexyl-2-(cyclohexylamino)pyrimidine-4-carboxamide
SMILESO=C(NC1CCCCC1)c1ccnc(NC2CCCCC2)n1
InChIInChI=1S/C17H26N4O/c22-16(19-13-7-3-1-4-8-13)15-11-12-18-17(21-15)20-14-9-5-2-6-10-14/h11-14H,1-10H2,(H,19,22)(H,18,20,21)
InChIKeyBWONVSCKBVUGID-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.28
Rot. Bonds4

About N-cyclohexyl-2-(cyclohexylamino)pyrimidine-4-carboxamide

N-cyclohexyl-2-(cyclohexylamino)pyrimidine-4-carboxamide (PubChem CID 109298589) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-cyclohexyl-2-(cyclohexylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(cyclohexylamino)pyrimidine-4-carboxamide
PubChem CID109298589
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-cyclohexyl-2-(cyclohexylamino)pyrimidine-4-carboxamide
SMILESO=C(NC1CCCCC1)c1ccnc(NC2CCCCC2)n1
InChIInChI=1S/C17H26N4O/c22-16(19-13-7-3-1-4-8-13)15-11-12-18-17(21-15)20-14-9-5-2-6-10-14/h11-14H,1-10H2,(H,19,22)(H,18,20,21)
InChIKeyBWONVSCKBVUGID-UHFFFAOYSA-N
XLogP3.28
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311427
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-cyclohexyl-2-(cyclohexylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-(cyclohexylamino)pyrimidine-4-carboxamide (CID 109298589) is N-cyclohexyl-2-(cyclohexylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(cyclohexylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(cyclohexylamino)pyrimidine-4-carboxamide is O=C(NC1CCCCC1)c1ccnc(NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-2-(cyclohexylamino)pyrimidine-4-carboxamide?
The InChIKey is BWONVSCKBVUGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c22-16(19-13-7-3-1-4-8-13)15-11-12-18-17(21-15)20-14-9-5-2-6-10-14/h11-14H,1-10H2,(H,19,22)(H,18,20,21).
What are the key properties of N-cyclohexyl-2-(cyclohexylamino)pyrimidine-4-carboxamide?
N-cyclohexyl-2-(cyclohexylamino)pyrimidine-4-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(cyclohexylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109298589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).