2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine

C10H13ClFN3 — CID 3573094

IUPAC2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NC1CCCCC1
InChIInChI=1S/C10H13ClFN3/c11-10-13-6-8(12)9(15-10)14-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,13,14,15)
InChIKeyGFWGJIJIONAZTJ-UHFFFAOYSA-N
MW229.69 g/mol
LogP3.01
Rot. Bonds2

About 2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine

2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine (PubChem CID 3573094) has the molecular formula C10H13ClFN3 and a molecular weight of 229.69 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine
PubChem CID3573094
Molecular FormulaC10H13ClFN3
Molecular Weight229.69 g/mol
Exact Mass229.08
IUPAC Name2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NC1CCCCC1
InChIInChI=1S/C10H13ClFN3/c11-10-13-6-8(12)9(15-10)14-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,13,14,15)
InChIKeyGFWGJIJIONAZTJ-UHFFFAOYSA-N
XLogP3.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.69
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,4-diamine
CID 89143426
2-chloro-5-fluoro-N-piperidin-4-ylpyrimidin-4-amine
CID 59210379
2-chloro-N-(1,1-dioxothian-4-yl)-5-fluoropyrimidin-4-amine
CID 79080718
1-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,3-diamine
CID 88544926
1-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,3-diamine;hydrochloride
CID 175069422
2,5-dichloro-N-cyclopentylpyrimidin-4-amine
CID 79633393
2-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,2-diamine
CID 88589836
2-chloro-N-cycloheptyl-5-(3,4,5-trifluorophenyl)pyrimidin-4-amine
CID 155812763
2-chloro-5-fluoro-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine
CID 79081840
2-chloro-N-(1-ethylazetidin-3-yl)-5-fluoropyrimidin-4-amine
CID 130702728
2-chloro-N-cyclopropyl-5-(difluoromethyl)pyrimidin-4-amine
CID 169118139
2-chloro-N-(cyclobutylmethyl)-5-fluoropyrimidin-4-amine
CID 79081830

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine?
The IUPAC name of 2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine (CID 3573094) is 2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine is Fc1cnc(Cl)nc1NC1CCCCC1.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine?
The InChIKey is GFWGJIJIONAZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN3/c11-10-13-6-8(12)9(15-10)14-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,13,14,15).
What are the key properties of 2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine?
2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine has a molecular weight of 229.69 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 3573094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).