2-chloro-N-(cyclobutylmethyl)-5-fluoropyrimidin-4-amine

C9H11ClFN3 — CID 79081830

IUPAC2-chloro-N-(cyclobutylmethyl)-5-fluoropyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NCC1CCC1
InChIInChI=1S/C9H11ClFN3/c10-9-13-5-7(11)8(14-9)12-4-6-2-1-3-6/h5-6H,1-4H2,(H,12,13,14)
InChIKeySOBOBUSMAZJARX-UHFFFAOYSA-N
MW215.66 g/mol
LogP2.48
Rot. Bonds3

About 2-chloro-N-(cyclobutylmethyl)-5-fluoropyrimidin-4-amine

2-chloro-N-(cyclobutylmethyl)-5-fluoropyrimidin-4-amine (PubChem CID 79081830) has the molecular formula C9H11ClFN3 and a molecular weight of 215.66 g/mol. Its IUPAC name is 2-chloro-N-(cyclobutylmethyl)-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(cyclobutylmethyl)-5-fluoropyrimidin-4-amine
PubChem CID79081830
Molecular FormulaC9H11ClFN3
Molecular Weight215.66 g/mol
Exact Mass215.06
IUPAC Name2-chloro-N-(cyclobutylmethyl)-5-fluoropyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NCC1CCC1
InChIInChI=1S/C9H11ClFN3/c10-9-13-5-7(11)8(14-9)12-4-6-2-1-3-6/h5-6H,1-4H2,(H,12,13,14)
InChIKeySOBOBUSMAZJARX-UHFFFAOYSA-N
XLogP2.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 79076621
2,5-dichloro-N-(cyclohexylmethyl)pyrimidin-4-amine
CID 79633102
2-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-5-fluoropyrimidin-4-amine
CID 81039975
4-N-(cyclopentylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80783715
2-chloro-5-fluoro-N-[2-(4-methylcyclohexyl)ethyl]pyrimidin-4-amine
CID 79076200
2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine
CID 3573094
4-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,4-diamine
CID 89143426
1-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,3-diamine
CID 88544926
2-chloro-N-(1,4-dioxan-2-ylmethyl)-5-fluoropyrimidin-4-amine
CID 79080521
2-chloro-N-(cyclohexylmethyl)-5-nitropyrimidin-4-amine
CID 86691694
2-chloro-5-fluoro-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 79081086
1-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,3-diamine;hydrochloride
CID 175069422

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclobutylmethyl)-5-fluoropyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(cyclobutylmethyl)-5-fluoropyrimidin-4-amine (CID 79081830) is 2-chloro-N-(cyclobutylmethyl)-5-fluoropyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(cyclobutylmethyl)-5-fluoropyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(cyclobutylmethyl)-5-fluoropyrimidin-4-amine is Fc1cnc(Cl)nc1NCC1CCC1.
What is the InChIKey of 2-chloro-N-(cyclobutylmethyl)-5-fluoropyrimidin-4-amine?
The InChIKey is SOBOBUSMAZJARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFN3/c10-9-13-5-7(11)8(14-9)12-4-6-2-1-3-6/h5-6H,1-4H2,(H,12,13,14).
What are the key properties of 2-chloro-N-(cyclobutylmethyl)-5-fluoropyrimidin-4-amine?
2-chloro-N-(cyclobutylmethyl)-5-fluoropyrimidin-4-amine has a molecular weight of 215.66 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclobutylmethyl)-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 79081830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).