N-(3,5-dimethylcyclohexyl)pyrimidin-5-amine

C12H19N3 — CID 107587637

IUPACN-(3,5-dimethylcyclohexyl)pyrimidin-5-amine
SMILESCC1CC(C)CC(Nc2cncnc2)C1
InChIInChI=1S/C12H19N3/c1-9-3-10(2)5-11(4-9)15-12-6-13-8-14-7-12/h6-11,15H,3-5H2,1-2H3
InChIKeyBJHFPWBDEWGEQF-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.71
Rot. Bonds2

About N-(3,5-dimethylcyclohexyl)pyrimidin-5-amine

N-(3,5-dimethylcyclohexyl)pyrimidin-5-amine (PubChem CID 107587637) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)pyrimidin-5-amine.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)pyrimidin-5-amine
PubChem CID107587637
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC NameN-(3,5-dimethylcyclohexyl)pyrimidin-5-amine
SMILESCC1CC(C)CC(Nc2cncnc2)C1
InChIInChI=1S/C12H19N3/c1-9-3-10(2)5-11(4-9)15-12-6-13-8-14-7-12/h6-11,15H,3-5H2,1-2H3
InChIKeyBJHFPWBDEWGEQF-UHFFFAOYSA-N
XLogP2.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(3,5-dimethylcyclohexyl)pyridin-3-amine
CID 104531796
5-N-(3,5-dimethylcyclohexyl)-3-N-ethylpyridine-3,5-diamine
CID 113424089
5-bromo-N-(3,5-dimethylcyclohexyl)pyrimidin-4-amine
CID 66339947
N-(3,5-dimethylcyclohexyl)-1H-pyrazol-4-amine
CID 64725037
N-(3,5-dimethylcyclohexyl)-2-phenylpyrimidin-5-amine
CID 64751560
5-chloro-N-(3-methylcyclobutyl)pyrimidin-4-amine
CID 105369616
N-(4-propan-2-ylcyclohexyl)pyrimidin-5-amine
CID 107588222
N-(1-methylpiperidin-4-yl)pyrimidin-5-amine
CID 83484174
N-[3-(4-fluorophenyl)cyclobutyl]pyrimidin-5-amine
CID 107587911
4-N-(3,5-dimethylcyclohexyl)benzene-1,4-diamine
CID 64732658
4-[(3,5-dimethylcyclohexyl)amino]phenol
CID 64752586
5-chloro-N-(3,5-dimethylcyclohexyl)pyrimidin-2-amine
CID 79557581

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)pyrimidin-5-amine?
The IUPAC name of N-(3,5-dimethylcyclohexyl)pyrimidin-5-amine (CID 107587637) is N-(3,5-dimethylcyclohexyl)pyrimidin-5-amine.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)pyrimidin-5-amine?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)pyrimidin-5-amine is CC1CC(C)CC(Nc2cncnc2)C1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)pyrimidin-5-amine?
The InChIKey is BJHFPWBDEWGEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-9-3-10(2)5-11(4-9)15-12-6-13-8-14-7-12/h6-11,15H,3-5H2,1-2H3.
What are the key properties of N-(3,5-dimethylcyclohexyl)pyrimidin-5-amine?
N-(3,5-dimethylcyclohexyl)pyrimidin-5-amine has a molecular weight of 205.31 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)pyrimidin-5-amine is sourced from PubChem (CID 107587637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).