N-cyclopropyl-6-ethyl-5-fluoro-N-propylpyrimidin-4-amine

C12H18FN3 — CID 75450201

IUPACN-cyclopropyl-6-ethyl-5-fluoro-N-propylpyrimidin-4-amine
SMILESCCCN(c1ncnc(CC)c1F)C1CC1
InChIInChI=1S/C12H18FN3/c1-3-7-16(9-5-6-9)12-11(13)10(4-2)14-8-15-12/h8-9H,3-7H2,1-2H3
InChIKeyMOGPDQXDKXSIRV-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.56
Rot. Bonds5

About N-cyclopropyl-6-ethyl-5-fluoro-N-propylpyrimidin-4-amine

N-cyclopropyl-6-ethyl-5-fluoro-N-propylpyrimidin-4-amine (PubChem CID 75450201) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is N-cyclopropyl-6-ethyl-5-fluoro-N-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-ethyl-5-fluoro-N-propylpyrimidin-4-amine
PubChem CID75450201
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC NameN-cyclopropyl-6-ethyl-5-fluoro-N-propylpyrimidin-4-amine
SMILESCCCN(c1ncnc(CC)c1F)C1CC1
InChIInChI=1S/C12H18FN3/c1-3-7-16(9-5-6-9)12-11(13)10(4-2)14-8-15-12/h8-9H,3-7H2,1-2H3
InChIKeyMOGPDQXDKXSIRV-UHFFFAOYSA-N
XLogP2.56
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-ethyl-5-fluoro-N-propylpyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-6-ethyl-5-fluoro-N-propylpyrimidin-4-amine (CID 75450201) is N-cyclopropyl-6-ethyl-5-fluoro-N-propylpyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-6-ethyl-5-fluoro-N-propylpyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-6-ethyl-5-fluoro-N-propylpyrimidin-4-amine is CCCN(c1ncnc(CC)c1F)C1CC1.
What is the InChIKey of N-cyclopropyl-6-ethyl-5-fluoro-N-propylpyrimidin-4-amine?
The InChIKey is MOGPDQXDKXSIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c1-3-7-16(9-5-6-9)12-11(13)10(4-2)14-8-15-12/h8-9H,3-7H2,1-2H3.
What are the key properties of N-cyclopropyl-6-ethyl-5-fluoro-N-propylpyrimidin-4-amine?
N-cyclopropyl-6-ethyl-5-fluoro-N-propylpyrimidin-4-amine has a molecular weight of 223.29 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-ethyl-5-fluoro-N-propylpyrimidin-4-amine is sourced from PubChem (CID 75450201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).