N-tert-butyl-2-(cyclohexylamino)pyrimidine-4-carboxamide

C15H24N4O — CID 109298654

IUPACN-tert-butyl-2-(cyclohexylamino)pyrimidine-4-carboxamide
SMILESCC(C)(C)NC(=O)c1ccnc(NC2CCCCC2)n1
InChIInChI=1S/C15H24N4O/c1-15(2,3)19-13(20)12-9-10-16-14(18-12)17-11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3,(H,19,20)(H,16,17,18)
InChIKeySQDYLBOZFVVVBG-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.75
Rot. Bonds3

About N-tert-butyl-2-(cyclohexylamino)pyrimidine-4-carboxamide

N-tert-butyl-2-(cyclohexylamino)pyrimidine-4-carboxamide (PubChem CID 109298654) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-tert-butyl-2-(cyclohexylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(cyclohexylamino)pyrimidine-4-carboxamide
PubChem CID109298654
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-tert-butyl-2-(cyclohexylamino)pyrimidine-4-carboxamide
SMILESCC(C)(C)NC(=O)c1ccnc(NC2CCCCC2)n1
InChIInChI=1S/C15H24N4O/c1-15(2,3)19-13(20)12-9-10-16-14(18-12)17-11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3,(H,19,20)(H,16,17,18)
InChIKeySQDYLBOZFVVVBG-UHFFFAOYSA-N
XLogP2.75
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311427
N-cyclohexyl-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298589
N-tert-butyl-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide
CID 109332725
N-(4-acetamidophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298724
N-(2-tert-butylphenyl)-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311458
2-(cyclopentylamino)pyrimidine-4-carboxylic acid
CID 91076843
N-(4-acetamidophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109297982
2-(cycloheptylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109311475
2-(cyclopentylamino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109297937
2-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide
CID 109298018
N-tert-butyl-2-(cycloheptylamino)pyrimidine-5-carboxamide
CID 109262837
2-(cycloheptylamino)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide
CID 109309208

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(cyclohexylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-tert-butyl-2-(cyclohexylamino)pyrimidine-4-carboxamide (CID 109298654) is N-tert-butyl-2-(cyclohexylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(cyclohexylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-2-(cyclohexylamino)pyrimidine-4-carboxamide is CC(C)(C)NC(=O)c1ccnc(NC2CCCCC2)n1.
What is the InChIKey of N-tert-butyl-2-(cyclohexylamino)pyrimidine-4-carboxamide?
The InChIKey is SQDYLBOZFVVVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-15(2,3)19-13(20)12-9-10-16-14(18-12)17-11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3,(H,19,20)(H,16,17,18).
What are the key properties of N-tert-butyl-2-(cyclohexylamino)pyrimidine-4-carboxamide?
N-tert-butyl-2-(cyclohexylamino)pyrimidine-4-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(cyclohexylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109298654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).