6-cyclopentyl-5-fluoropyrimidine-2,4-diamine

C9H13FN4 — CID 67519663

IUPAC6-cyclopentyl-5-fluoropyrimidine-2,4-diamine
SMILESNc1nc(N)c(F)c(C2CCCC2)n1
InChIInChI=1S/C9H13FN4/c10-6-7(5-3-1-2-4-5)13-9(12)14-8(6)11/h5H,1-4H2,(H4,11,12,13,14)
InChIKeyUBWIBFBHALUVDT-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.44
Rot. Bonds1

About 6-cyclopentyl-5-fluoropyrimidine-2,4-diamine

6-cyclopentyl-5-fluoropyrimidine-2,4-diamine (PubChem CID 67519663) has the molecular formula C9H13FN4 and a molecular weight of 196.23 g/mol. Its IUPAC name is 6-cyclopentyl-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-cyclopentyl-5-fluoropyrimidine-2,4-diamine
PubChem CID67519663
Molecular FormulaC9H13FN4
Molecular Weight196.23 g/mol
Exact Mass196.11
IUPAC Name6-cyclopentyl-5-fluoropyrimidine-2,4-diamine
SMILESNc1nc(N)c(F)c(C2CCCC2)n1
InChIInChI=1S/C9H13FN4/c10-6-7(5-3-1-2-4-5)13-9(12)14-8(6)11/h5H,1-4H2,(H4,11,12,13,14)
InChIKeyUBWIBFBHALUVDT-UHFFFAOYSA-N
XLogP1.44
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 6-cyclopentyl-5-fluoropyrimidine-2,4-diamine (CID 67519663) is 6-cyclopentyl-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 6-cyclopentyl-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 6-cyclopentyl-5-fluoropyrimidine-2,4-diamine is Nc1nc(N)c(F)c(C2CCCC2)n1.
What is the InChIKey of 6-cyclopentyl-5-fluoropyrimidine-2,4-diamine?
The InChIKey is UBWIBFBHALUVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4/c10-6-7(5-3-1-2-4-5)13-9(12)14-8(6)11/h5H,1-4H2,(H4,11,12,13,14).
What are the key properties of 6-cyclopentyl-5-fluoropyrimidine-2,4-diamine?
6-cyclopentyl-5-fluoropyrimidine-2,4-diamine has a molecular weight of 196.23 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 67519663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).