5-fluoro-4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine

C14H23FN4 — CID 80836408

IUPAC5-fluoro-4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(N2CCCCCC2C)n1
InChIInChI=1S/C14H23FN4/c1-3-8-16-14-17-10-12(15)13(18-14)19-9-6-4-5-7-11(19)2/h10-11H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyBERPQPLQUGSKDI-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.21
Rot. Bonds4

About 5-fluoro-4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine

5-fluoro-4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine (PubChem CID 80836408) has the molecular formula C14H23FN4 and a molecular weight of 266.36 g/mol. Its IUPAC name is 5-fluoro-4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine
PubChem CID80836408
Molecular FormulaC14H23FN4
Molecular Weight266.36 g/mol
Exact Mass266.19
IUPAC Name5-fluoro-4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(N2CCCCCC2C)n1
InChIInChI=1S/C14H23FN4/c1-3-8-16-14-17-10-12(15)13(18-14)19-9-6-4-5-7-11(19)2/h10-11H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyBERPQPLQUGSKDI-UHFFFAOYSA-N
XLogP3.21
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-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

5-methyl-4-(2-methylpiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80767020
5-bromo-4-(2-methylpiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80766777
4-(2,3-dimethylpiperidin-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
CID 80822054
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-fluoro-N-propylpyrimidin-2-amine
CID 102729112
4-(azocan-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
CID 80764245
4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80835435
[1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]azepan-2-yl]methanol
CID 116640745
N-ethyl-5-fluoro-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidin-2-amine
CID 80837896
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-fluoro-N-propylpyrimidin-2-amine
CID 115563063
5-chloro-4-(2-ethylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 104692996
1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 80754662
4-[3-(dimethylamino)piperidin-1-yl]-5-fluoro-N-propylpyrimidin-2-amine
CID 80856544

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine (CID 80836408) is 5-fluoro-4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine is CCCNc1ncc(F)c(N2CCCCCC2C)n1.
What is the InChIKey of 5-fluoro-4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine?
The InChIKey is BERPQPLQUGSKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN4/c1-3-8-16-14-17-10-12(15)13(18-14)19-9-6-4-5-7-11(19)2/h10-11H,3-9H2,1-2H3,(H,16,17,18).
What are the key properties of 5-fluoro-4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine?
5-fluoro-4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine has a molecular weight of 266.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80836408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).