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

C14H22FN3 — CID 113229222

IUPAC5-fluoro-6-methyl-N-(4-propylcyclohexyl)pyrimidin-4-amine
SMILESCCCC1CCC(Nc2ncnc(C)c2F)CC1
InChIInChI=1S/C14H22FN3/c1-3-4-11-5-7-12(8-6-11)18-14-13(15)10(2)16-9-17-14/h9,11-12H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyZROPCHTYHUOKPJ-UHFFFAOYSA-N
MW251.35 g/mol
LogP3.69
Rot. Bonds4

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

5-fluoro-6-methyl-N-(4-propylcyclohexyl)pyrimidin-4-amine (PubChem CID 113229222) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is 5-fluoro-6-methyl-N-(4-propylcyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-6-methyl-N-(4-propylcyclohexyl)pyrimidin-4-amine
PubChem CID113229222
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name5-fluoro-6-methyl-N-(4-propylcyclohexyl)pyrimidin-4-amine
SMILESCCCC1CCC(Nc2ncnc(C)c2F)CC1
InChIInChI=1S/C14H22FN3/c1-3-4-11-5-7-12(8-6-11)18-14-13(15)10(2)16-9-17-14/h9,11-12H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyZROPCHTYHUOKPJ-UHFFFAOYSA-N
XLogP3.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(1,3-difluoropropan-2-yl)cyclohexyl]-6-ethylpyrimidin-4-amine
CID 21252692
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
6-ethyl-5-fluoro-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 103867425
2-Chloro-N-(4,4-difluorocyclohexyl)-5,6-dimethylpyrimidin-4-amine
CID 117817673

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-N-(4-propylcyclohexyl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-6-methyl-N-(4-propylcyclohexyl)pyrimidin-4-amine (CID 113229222) is 5-fluoro-6-methyl-N-(4-propylcyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-6-methyl-N-(4-propylcyclohexyl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-6-methyl-N-(4-propylcyclohexyl)pyrimidin-4-amine is CCCC1CCC(Nc2ncnc(C)c2F)CC1.
What is the InChIKey of 5-fluoro-6-methyl-N-(4-propylcyclohexyl)pyrimidin-4-amine?
The InChIKey is ZROPCHTYHUOKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-3-4-11-5-7-12(8-6-11)18-14-13(15)10(2)16-9-17-14/h9,11-12H,3-8H2,1-2H3,(H,16,17,18).
What are the key properties of 5-fluoro-6-methyl-N-(4-propylcyclohexyl)pyrimidin-4-amine?
5-fluoro-6-methyl-N-(4-propylcyclohexyl)pyrimidin-4-amine has a molecular weight of 251.35 g/mol, XLogP of 3.69, 4 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-propylcyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 113229222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).