5,6-dimethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine

C13H21N3 — CID 59943475

IUPAC5,6-dimethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
SMILESCc1ncnc(NC2CCC(C)CC2)c1C
InChIInChI=1S/C13H21N3/c1-9-4-6-12(7-5-9)16-13-10(2)11(3)14-8-15-13/h8-9,12H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyUWCIHMQTUZAHCW-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.08
Rot. Bonds2

About 5,6-dimethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine

5,6-dimethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine (PubChem CID 59943475) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 5,6-dimethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
PubChem CID59943475
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name5,6-dimethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
SMILESCc1ncnc(NC2CCC(C)CC2)c1C
InChIInChI=1S/C13H21N3/c1-9-4-6-12(7-5-9)16-13-10(2)11(3)14-8-15-13/h8-9,12H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyUWCIHMQTUZAHCW-UHFFFAOYSA-N
XLogP3.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N,5-dibutyl-6-methylpyrimidine-2,4-diamine
CID 135271003
4-N-butyl-5,6-dimethylpyrimidine-2,4-diamine
CID 135271001
4-N-butyl-5-(3-cyclohexylpropyl)-6-methylpyrimidine-2,4-diamine
CID 135271021
N-Isopropyl-6,7,8,9-Tetrahydro-5H-Pyrimido[4,5-D]Azepin-4-Amine
CID 97516494
N-methyl-5,6-di(propan-2-yl)pyrimidin-4-amine
CID 65440079
N-cyclopentyl-N'-(5,6-dimethylpyrimidin-4-yl)-N-methylpropane-1,3-diamine
CID 72892795
5,6-Dimethyl-N-[3-(4-methylpiperazin-1-YL)propyl]pyrimidin-4-amine
CID 72915490
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-5,6-dimethylpyrimidin-4-amine
CID 97113229
(2S)-2-N,2-N-dimethyl-1-N-(2,5,6-trimethylpyrimidin-4-yl)pentane-1,2-diamine
CID 97117039
4-N-[(2S)-3-[ethyl(methyl)amino]-2-methylpropyl]-5,6-dimethylpyrimidine-2,4-diamine
CID 97122056
4-(cis-4-Tert-butylcyclohexylamino)-6-ethyl-5-fluoropyrimidine
CID 11185082
4-(cis-4-tert-Butylcyclohexylamino)-6-ethyl-5-trifluoromethylpyrimidine
CID 15334552

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine (CID 59943475) is 5,6-dimethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine is Cc1ncnc(NC2CCC(C)CC2)c1C.
What is the InChIKey of 5,6-dimethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine?
The InChIKey is UWCIHMQTUZAHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-9-4-6-12(7-5-9)16-13-10(2)11(3)14-8-15-13/h8-9,12H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 5,6-dimethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine?
5,6-dimethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine has a molecular weight of 219.33 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 59943475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).