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

C9H14FN3 — CID 115416478

IUPACN-ethyl-6-fluoro-N-propylpyrimidin-4-amine
SMILESCCCN(CC)c1cc(F)ncn1
InChIInChI=1S/C9H14FN3/c1-3-5-13(4-2)9-6-8(10)11-7-12-9/h6-7H,3-5H2,1-2H3
InChIKeyYZRUVDHRIOSEJQ-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.85
Rot. Bonds4

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

N-ethyl-6-fluoro-N-propylpyrimidin-4-amine (PubChem CID 115416478) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is N-ethyl-6-fluoro-N-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-fluoro-N-propylpyrimidin-4-amine
PubChem CID115416478
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC NameN-ethyl-6-fluoro-N-propylpyrimidin-4-amine
SMILESCCCN(CC)c1cc(F)ncn1
InChIInChI=1S/C9H14FN3/c1-3-5-13(4-2)9-6-8(10)11-7-12-9/h6-7H,3-5H2,1-2H3
InChIKeyYZRUVDHRIOSEJQ-UHFFFAOYSA-N
XLogP1.85
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-ethyl-6-fluoro-N-propylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-N,N-dipropylpyrimidin-4-amine
CID 115416385
N,N-dibutyl-6-fluoropyrimidin-4-amine
CID 115416258
6-N,6-N-diethyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112863456
N,N-bis(2-ethoxyethyl)-6-fluoropyrimidin-4-amine
CID 82960073
N-butyl-6-fluoro-N-methylpyrimidin-4-amine
CID 115416253
N-ethyl-6-fluoro-N-(furan-2-ylmethyl)pyrimidin-4-amine
CID 115416612
2-N-ethyl-2-N-propylpyridine-2,4,5-triamine
CID 144872693
4-N,4-N-diethyl-6-N,6-N-dimethylpyrimidine-4,6-diamine
CID 22613295
4-N,4-N-diethyl-6-N-methylpyrimidine-4,6-diamine
CID 80767008
2-[ethyl-(6-methylpyrimidin-4-yl)amino]ethanol
CID 61225312
6-hydrazinyl-N,N-dipropylpyrimidin-4-amine
CID 80932802
4-N,4-N-dipropyl-6-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112864554

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-fluoro-N-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-fluoro-N-propylpyrimidin-4-amine (CID 115416478) is N-ethyl-6-fluoro-N-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-fluoro-N-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-fluoro-N-propylpyrimidin-4-amine is CCCN(CC)c1cc(F)ncn1.
What is the InChIKey of N-ethyl-6-fluoro-N-propylpyrimidin-4-amine?
The InChIKey is YZRUVDHRIOSEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3/c1-3-5-13(4-2)9-6-8(10)11-7-12-9/h6-7H,3-5H2,1-2H3.
What are the key properties of N-ethyl-6-fluoro-N-propylpyrimidin-4-amine?
N-ethyl-6-fluoro-N-propylpyrimidin-4-amine has a molecular weight of 183.23 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-fluoro-N-propylpyrimidin-4-amine is sourced from PubChem (CID 115416478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).