4-N-(cyclopentylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine

C12H19FN4 — CID 80783715

IUPAC4-N-(cyclopentylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NCC2CCCC2)n1
InChIInChI=1S/C12H19FN4/c1-2-14-12-16-8-10(13)11(17-12)15-7-9-5-3-4-6-9/h8-9H,2-7H2,1H3,(H2,14,15,16,17)
InChIKeyQREQEWBETDHVNB-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.65
Rot. Bonds5

About 4-N-(cyclopentylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine

4-N-(cyclopentylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine (PubChem CID 80783715) has the molecular formula C12H19FN4 and a molecular weight of 238.31 g/mol. Its IUPAC name is 4-N-(cyclopentylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(cyclopentylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
PubChem CID80783715
Molecular FormulaC12H19FN4
Molecular Weight238.31 g/mol
Exact Mass238.16
IUPAC Name4-N-(cyclopentylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NCC2CCCC2)n1
InChIInChI=1S/C12H19FN4/c1-2-14-12-16-8-10(13)11(17-12)15-7-9-5-3-4-6-9/h8-9H,2-7H2,1H3,(H2,14,15,16,17)
InChIKeyQREQEWBETDHVNB-UHFFFAOYSA-N
XLogP2.65
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(cyclopentylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopentylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 4-N-(cyclopentylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine (CID 80783715) is 4-N-(cyclopentylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(cyclopentylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(cyclopentylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine is CCNc1ncc(F)c(NCC2CCCC2)n1.
What is the InChIKey of 4-N-(cyclopentylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine?
The InChIKey is QREQEWBETDHVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4/c1-2-14-12-16-8-10(13)11(17-12)15-7-9-5-3-4-6-9/h8-9H,2-7H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-N-(cyclopentylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine?
4-N-(cyclopentylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine has a molecular weight of 238.31 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclopentylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 80783715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).