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

C6H7ClFN3 — CID 1712972

IUPAC2-chloro-N-ethyl-5-fluoropyrimidin-4-amine
SMILESCCNC1=NC(=NC=C1F)Cl
InChIInChI=1S/C6H7ClFN3/c1-2-9-5-4(8)3-10-6(7)11-5/h3H,2H2,1H3,(H,9,10,11)
InChIKeyYTGVSGYCQRHMSK-UHFFFAOYSA-N
MW175.59 g/mol
LogP1.90
Rot. Bonds2

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

2-chloro-N-ethyl-5-fluoropyrimidin-4-amine (PubChem CID 1712972) has the molecular formula C6H7ClFN3 and a molecular weight of 175.59 g/mol. Its IUPAC name is 2-chloro-N-ethyl-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-ethyl-5-fluoropyrimidin-4-amine
PubChem CID1712972
Molecular FormulaC6H7ClFN3
Molecular Weight175.59 g/mol
Exact Mass175.03
IUPAC Name2-chloro-N-ethyl-5-fluoropyrimidin-4-amine
SMILESCCNC1=NC(=NC=C1F)Cl
InChIInChI=1S/C6H7ClFN3/c1-2-9-5-4(8)3-10-6(7)11-5/h3H,2H2,1H3,(H,9,10,11)
InChIKeyYTGVSGYCQRHMSK-UHFFFAOYSA-N
XLogP1.90
TPSA37.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity124

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.59
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-5-fluoropyrimidin-4-amine?
The IUPAC name of 2-chloro-N-ethyl-5-fluoropyrimidin-4-amine (CID 1712972) is 2-chloro-N-ethyl-5-fluoropyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-ethyl-5-fluoropyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-ethyl-5-fluoropyrimidin-4-amine is CCNC1=NC(=NC=C1F)Cl.
What is the InChIKey of 2-chloro-N-ethyl-5-fluoropyrimidin-4-amine?
The InChIKey is YTGVSGYCQRHMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClFN3/c1-2-9-5-4(8)3-10-6(7)11-5/h3H,2H2,1H3,(H,9,10,11).
What are the key properties of 2-chloro-N-ethyl-5-fluoropyrimidin-4-amine?
2-chloro-N-ethyl-5-fluoropyrimidin-4-amine has a molecular weight of 175.59 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 1712972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).