N-(3,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-2-amine

C14H23N3 — CID 64741526

IUPACN-(3,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(NC2CCC(C)C(C)C2)n1
InChIInChI=1S/C14H23N3/c1-9-5-6-13(7-10(9)2)17-14-15-11(3)8-12(4)16-14/h8-10,13H,5-7H2,1-4H3,(H,15,16,17)
InChIKeyFHIXVWBWIJVGNC-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.33
Rot. Bonds2

About N-(3,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-2-amine

N-(3,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-2-amine (PubChem CID 64741526) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-2-amine
PubChem CID64741526
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-(3,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(NC2CCC(C)C(C)C2)n1
InChIInChI=1S/C14H23N3/c1-9-5-6-13(7-10(9)2)17-14-15-11(3)8-12(4)16-14/h8-10,13H,5-7H2,1-4H3,(H,15,16,17)
InChIKeyFHIXVWBWIJVGNC-UHFFFAOYSA-N
XLogP3.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dimethyl-N-(3-methylcyclohexyl)pyrimidin-2-amine
CID 43428255
4-N-(4,6-dimethylpyrimidin-2-yl)cyclohexane-1,4-diamine
CID 62319423
N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline
CID 64731599
2-[(3,4-dimethylcyclohexyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
CID 64741956
2-N-(3,4-dimethylcyclohexyl)pyrimidine-2,5-diamine
CID 64740867
4,6-dimethyl-N-(2-methylcyclopentyl)pyrimidin-2-amine
CID 63281309
2-N-(3,4-dimethylcyclohexyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80915102
N-(1,1-dioxothian-4-yl)-4,6-dimethylpyrimidin-2-amine
CID 43615421
N-(3,4-dimethylcyclohexyl)-1-ethyl-4-methylimidazol-2-amine
CID 106574619
4-N-(3,4-dimethylcyclohexyl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80827383
methyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexane-1-carboxylate
CID 112689982
4-bromo-N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline
CID 107571712

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-2-amine (CID 64741526) is N-(3,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-2-amine is Cc1cc(C)nc(NC2CCC(C)C(C)C2)n1.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-2-amine?
The InChIKey is FHIXVWBWIJVGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-9-5-6-13(7-10(9)2)17-14-15-11(3)8-12(4)16-14/h8-10,13H,5-7H2,1-4H3,(H,15,16,17).
What are the key properties of N-(3,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-2-amine?
N-(3,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-2-amine has a molecular weight of 233.36 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 64741526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).