5-fluoro-6-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine

C12H18FN3 — CID 103634730

IUPAC5-fluoro-6-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
SMILESCc1ncnc(NC2CCC(C)CC2)c1F
InChIInChI=1S/C12H18FN3/c1-8-3-5-10(6-4-8)16-12-11(13)9(2)14-7-15-12/h7-8,10H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyCBQAKGBHIAPRGQ-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.91
Rot. Bonds2

About 5-fluoro-6-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine

5-fluoro-6-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine (PubChem CID 103634730) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is 5-fluoro-6-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-6-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
PubChem CID103634730
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC Name5-fluoro-6-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
SMILESCc1ncnc(NC2CCC(C)CC2)c1F
InChIInChI=1S/C12H18FN3/c1-8-3-5-10(6-4-8)16-12-11(13)9(2)14-7-15-12/h7-8,10H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyCBQAKGBHIAPRGQ-UHFFFAOYSA-N
XLogP2.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-N'-(5,6-dimethylpyrimidin-4-yl)-N-methylpropane-1,3-diamine
CID 72892795
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-5,6-dimethylpyrimidin-4-amine
CID 97113229
N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 164637542
4-(cis-4-Tert-butylcyclohexylamino)-6-ethyl-5-fluoropyrimidine
CID 11185082
4-(cis-4-tert-Butylcyclohexylamino)-6-ethyl-5-trifluoromethylpyrimidine
CID 15334552
5-chloro-6-ethyl-N-[4-(1,2,2-trifluoroethyl)cyclohexyl]pyrimidin-4-amine
CID 20640258
5-chloro-N-[4-(3,3-difluoropropyl)cyclohexyl]-6-ethylpyrimidin-4-amine
CID 21252708
4-(cis-4-tert-Butylcyclohexylamino)-6-methyl-5-(2-fluoroethyl)pyrimidine
CID 22097418
4-(cis-4-tert-Butylcyclohexylamino)-6-ethyl-5-pentafluoroethylpyrimidine
CID 22097428
4-(cis-4-tert-Butylcyclohexylamino)-6-ethyl-5-fluoromethylpyrimidine
CID 22097429
N-[4-(2,2-difluoropropyl)cyclohexyl]-2,5,6-trimethylpyrimidin-4-amine
CID 59943477
6-(fluoromethyl)-N-[(3S)-heptan-3-yl]pyrimidin-4-amine
CID 70858735

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-6-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine (CID 103634730) is 5-fluoro-6-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-6-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-6-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine is Cc1ncnc(NC2CCC(C)CC2)c1F.
What is the InChIKey of 5-fluoro-6-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine?
The InChIKey is CBQAKGBHIAPRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c1-8-3-5-10(6-4-8)16-12-11(13)9(2)14-7-15-12/h7-8,10H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of 5-fluoro-6-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine?
5-fluoro-6-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine has a molecular weight of 223.29 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 103634730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).