N-(1-cyclohexylethyl)-5-fluoro-6-methylpyrimidin-4-amine

C13H20FN3 — CID 103703539

IUPACN-(1-cyclohexylethyl)-5-fluoro-6-methylpyrimidin-4-amine
SMILESCc1ncnc(NC(C)C2CCCCC2)c1F
InChIInChI=1S/C13H20FN3/c1-9(11-6-4-3-5-7-11)17-13-12(14)10(2)15-8-16-13/h8-9,11H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyNYPKTGQFWIFPNP-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.30
Rot. Bonds3

About N-(1-cyclohexylethyl)-5-fluoro-6-methylpyrimidin-4-amine

N-(1-cyclohexylethyl)-5-fluoro-6-methylpyrimidin-4-amine (PubChem CID 103703539) has the molecular formula C13H20FN3 and a molecular weight of 237.32 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-5-fluoro-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-5-fluoro-6-methylpyrimidin-4-amine
PubChem CID103703539
Molecular FormulaC13H20FN3
Molecular Weight237.32 g/mol
Exact Mass237.16
IUPAC NameN-(1-cyclohexylethyl)-5-fluoro-6-methylpyrimidin-4-amine
SMILESCc1ncnc(NC(C)C2CCCCC2)c1F
InChIInChI=1S/C13H20FN3/c1-9(11-6-4-3-5-7-11)17-13-12(14)10(2)15-8-16-13/h8-9,11H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyNYPKTGQFWIFPNP-UHFFFAOYSA-N
XLogP3.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.30
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 N-(1-cyclohexylethyl)-5-fluoro-6-methylpyrimidin-4-amine?
The IUPAC name of N-(1-cyclohexylethyl)-5-fluoro-6-methylpyrimidin-4-amine (CID 103703539) is N-(1-cyclohexylethyl)-5-fluoro-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(1-cyclohexylethyl)-5-fluoro-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(1-cyclohexylethyl)-5-fluoro-6-methylpyrimidin-4-amine is Cc1ncnc(NC(C)C2CCCCC2)c1F.
What is the InChIKey of N-(1-cyclohexylethyl)-5-fluoro-6-methylpyrimidin-4-amine?
The InChIKey is NYPKTGQFWIFPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3/c1-9(11-6-4-3-5-7-11)17-13-12(14)10(2)15-8-16-13/h8-9,11H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of N-(1-cyclohexylethyl)-5-fluoro-6-methylpyrimidin-4-amine?
N-(1-cyclohexylethyl)-5-fluoro-6-methylpyrimidin-4-amine has a molecular weight of 237.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-5-fluoro-6-methylpyrimidin-4-amine is sourced from PubChem (CID 103703539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).