4-N-(5-tert-butylpyrimidin-2-yl)-4-N-methylcyclohexane-1,4-diamine

C15H26N4 — CID 116977647

IUPAC4-N-(5-tert-butylpyrimidin-2-yl)-4-N-methylcyclohexane-1,4-diamine
SMILESCN(c1ncc(C(C)(C)C)cn1)C1CCC(N)CC1
InChIInChI=1S/C15H26N4/c1-15(2,3)11-9-17-14(18-10-11)19(4)13-7-5-12(16)6-8-13/h9-10,12-13H,5-8,16H2,1-4H3
InChIKeyNVNAIVDSVOYUQW-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.48
Rot. Bonds2

About 4-N-(5-tert-butylpyrimidin-2-yl)-4-N-methylcyclohexane-1,4-diamine

4-N-(5-tert-butylpyrimidin-2-yl)-4-N-methylcyclohexane-1,4-diamine (PubChem CID 116977647) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-N-(5-tert-butylpyrimidin-2-yl)-4-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(5-tert-butylpyrimidin-2-yl)-4-N-methylcyclohexane-1,4-diamine
PubChem CID116977647
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name4-N-(5-tert-butylpyrimidin-2-yl)-4-N-methylcyclohexane-1,4-diamine
SMILESCN(c1ncc(C(C)(C)C)cn1)C1CCC(N)CC1
InChIInChI=1S/C15H26N4/c1-15(2,3)11-9-17-14(18-10-11)19(4)13-7-5-12(16)6-8-13/h9-10,12-13H,5-8,16H2,1-4H3
InChIKeyNVNAIVDSVOYUQW-UHFFFAOYSA-N
XLogP2.48
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-(5-tert-butylpyrimidin-2-yl)-4-N-methylcyclohexane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(4-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine
CID 115149728
4-N-methyl-4-N-[5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,4-diamine
CID 79115562
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-N-methylcyclohexane-1,4-diamine
CID 79115291
2-[cyclopropyl(methyl)amino]pyrimidine-5-carboxylic acid
CID 83830301
4-N-(2-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine
CID 117029186
5-bromo-N-[4-[3-(dimethylamino)propyl]cyclohexyl]-N-methylpyrimidin-2-amine
CID 22236335
4-[methyl-(5-methylpyrimidin-2-yl)amino]cyclohexan-1-ol
CID 116978157
4-N-(5-tert-butyl-2-pyridinyl)cyclohexane-1,4-diamine
CID 114011527
4-N-methyl-4-N-(4-methylphenyl)cyclohexane-1,4-diamine
CID 78917483
4-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-N-methylcyclohexane-1,4-diamine
CID 105362020
5-chloro-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 163344044
N,5-dimethyl-N-piperidin-4-ylpyrimidin-2-amine;dihydrochloride
CID 171700739

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-tert-butylpyrimidin-2-yl)-4-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(5-tert-butylpyrimidin-2-yl)-4-N-methylcyclohexane-1,4-diamine (CID 116977647) is 4-N-(5-tert-butylpyrimidin-2-yl)-4-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(5-tert-butylpyrimidin-2-yl)-4-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(5-tert-butylpyrimidin-2-yl)-4-N-methylcyclohexane-1,4-diamine is CN(c1ncc(C(C)(C)C)cn1)C1CCC(N)CC1.
What is the InChIKey of 4-N-(5-tert-butylpyrimidin-2-yl)-4-N-methylcyclohexane-1,4-diamine?
The InChIKey is NVNAIVDSVOYUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-15(2,3)11-9-17-14(18-10-11)19(4)13-7-5-12(16)6-8-13/h9-10,12-13H,5-8,16H2,1-4H3.
What are the key properties of 4-N-(5-tert-butylpyrimidin-2-yl)-4-N-methylcyclohexane-1,4-diamine?
4-N-(5-tert-butylpyrimidin-2-yl)-4-N-methylcyclohexane-1,4-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-tert-butylpyrimidin-2-yl)-4-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 116977647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).