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

C10H13ClFN3 — CID 79080516

IUPAC2-chloro-N-(cyclopentylmethyl)-5-fluoropyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NCC1CCCC1
InChIInChI=1S/C10H13ClFN3/c11-10-14-6-8(12)9(15-10)13-5-7-3-1-2-4-7/h6-7H,1-5H2,(H,13,14,15)
InChIKeyFTFNTSNNOWKSSF-UHFFFAOYSA-N
MW229.69 g/mol
LogP2.87
Rot. Bonds3

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

2-chloro-N-(cyclopentylmethyl)-5-fluoropyrimidin-4-amine (PubChem CID 79080516) has the molecular formula C10H13ClFN3 and a molecular weight of 229.69 g/mol. Its IUPAC name is 2-chloro-N-(cyclopentylmethyl)-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(cyclopentylmethyl)-5-fluoropyrimidin-4-amine
PubChem CID79080516
Molecular FormulaC10H13ClFN3
Molecular Weight229.69 g/mol
Exact Mass229.08
IUPAC Name2-chloro-N-(cyclopentylmethyl)-5-fluoropyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NCC1CCCC1
InChIInChI=1S/C10H13ClFN3/c11-10-14-6-8(12)9(15-10)13-5-7-3-1-2-4-7/h6-7H,1-5H2,(H,13,14,15)
InChIKeyFTFNTSNNOWKSSF-UHFFFAOYSA-N
XLogP2.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.69
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclopentylmethyl)-5-fluoropyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(cyclopentylmethyl)-5-fluoropyrimidin-4-amine (CID 79080516) is 2-chloro-N-(cyclopentylmethyl)-5-fluoropyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(cyclopentylmethyl)-5-fluoropyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(cyclopentylmethyl)-5-fluoropyrimidin-4-amine is Fc1cnc(Cl)nc1NCC1CCCC1.
What is the InChIKey of 2-chloro-N-(cyclopentylmethyl)-5-fluoropyrimidin-4-amine?
The InChIKey is FTFNTSNNOWKSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN3/c11-10-14-6-8(12)9(15-10)13-5-7-3-1-2-4-7/h6-7H,1-5H2,(H,13,14,15).
What are the key properties of 2-chloro-N-(cyclopentylmethyl)-5-fluoropyrimidin-4-amine?
2-chloro-N-(cyclopentylmethyl)-5-fluoropyrimidin-4-amine has a molecular weight of 229.69 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclopentylmethyl)-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 79080516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).