4-N-(4,4-dimethylcyclohexyl)-5-methylpyrimidine-2,4-diamine

C13H22N4 — CID 80837383

IUPAC4-N-(4,4-dimethylcyclohexyl)-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1NC1CCC(C)(C)CC1
InChIInChI=1S/C13H22N4/c1-9-8-15-12(14)17-11(9)16-10-4-6-13(2,3)7-5-10/h8,10H,4-7H2,1-3H3,(H3,14,15,16,17)
InChIKeyBCBWCTIFPHIGFA-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.75
Rot. Bonds2

About 4-N-(4,4-dimethylcyclohexyl)-5-methylpyrimidine-2,4-diamine

4-N-(4,4-dimethylcyclohexyl)-5-methylpyrimidine-2,4-diamine (PubChem CID 80837383) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-N-(4,4-dimethylcyclohexyl)-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4,4-dimethylcyclohexyl)-5-methylpyrimidine-2,4-diamine
PubChem CID80837383
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-N-(4,4-dimethylcyclohexyl)-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1NC1CCC(C)(C)CC1
InChIInChI=1S/C13H22N4/c1-9-8-15-12(14)17-11(9)16-10-4-6-13(2,3)7-5-10/h8,10H,4-7H2,1-3H3,(H3,14,15,16,17)
InChIKeyBCBWCTIFPHIGFA-UHFFFAOYSA-N
XLogP2.75
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(4,4-dimethylcyclohexyl)-5-methylpyridine-2,4-diamine
CID 83265260
4-N-(3,3-dimethylcyclopentyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 114542208
2-N-(3,3-dimethylcyclopentyl)-3-methylpyridine-2,5-diamine
CID 114543290
N-cyclohexyl-2,5-dimethylpyrimidin-4-amine
CID 155572636
[2-[(2-amino-5-methylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 106368178
5-methyl-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine
CID 80824547
5-methyl-4-N-[(1S,2R)-2-phenylcyclopropyl]pyrimidine-2,4-diamine
CID 164630320
4-N-(4-aminocyclohexyl)-2-N,2-N,5-trimethylpyrimidine-2,4-diamine
CID 68976534
5-(3-bromo-4-methylphenyl)-4-N-cyclopropylpyrimidine-2,4-diamine
CID 67217810
4-N-(3,3-dimethylcyclopentyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330666
1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 80843018
2-[(2-amino-5-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide
CID 80793027

Frequently Asked Questions

What is the IUPAC name of 4-N-(4,4-dimethylcyclohexyl)-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4,4-dimethylcyclohexyl)-5-methylpyrimidine-2,4-diamine (CID 80837383) is 4-N-(4,4-dimethylcyclohexyl)-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4,4-dimethylcyclohexyl)-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4,4-dimethylcyclohexyl)-5-methylpyrimidine-2,4-diamine is Cc1cnc(N)nc1NC1CCC(C)(C)CC1.
What is the InChIKey of 4-N-(4,4-dimethylcyclohexyl)-5-methylpyrimidine-2,4-diamine?
The InChIKey is BCBWCTIFPHIGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-9-8-15-12(14)17-11(9)16-10-4-6-13(2,3)7-5-10/h8,10H,4-7H2,1-3H3,(H3,14,15,16,17).
What are the key properties of 4-N-(4,4-dimethylcyclohexyl)-5-methylpyrimidine-2,4-diamine?
4-N-(4,4-dimethylcyclohexyl)-5-methylpyrimidine-2,4-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4,4-dimethylcyclohexyl)-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80837383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).