4-N-(cyclobutylmethyl)-6-fluoropyrimidine-4,5-diamine

C9H13FN4 — CID 164657823

IUPAC4-N-(cyclobutylmethyl)-6-fluoropyrimidine-4,5-diamine
SMILESNc1c(F)ncnc1NCC1CCC1
InChIInChI=1S/C9H13FN4/c10-8-7(11)9(14-5-13-8)12-4-6-2-1-3-6/h5-6H,1-4,11H2,(H,12,13,14)
InChIKeyBQERUYHNLUQQGL-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.41
Rot. Bonds3

About 4-N-(cyclobutylmethyl)-6-fluoropyrimidine-4,5-diamine

4-N-(cyclobutylmethyl)-6-fluoropyrimidine-4,5-diamine (PubChem CID 164657823) has the molecular formula C9H13FN4 and a molecular weight of 196.23 g/mol. Its IUPAC name is 4-N-(cyclobutylmethyl)-6-fluoropyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(cyclobutylmethyl)-6-fluoropyrimidine-4,5-diamine
PubChem CID164657823
Molecular FormulaC9H13FN4
Molecular Weight196.23 g/mol
Exact Mass196.11
IUPAC Name4-N-(cyclobutylmethyl)-6-fluoropyrimidine-4,5-diamine
SMILESNc1c(F)ncnc1NCC1CCC1
InChIInChI=1S/C9H13FN4/c10-8-7(11)9(14-5-13-8)12-4-6-2-1-3-6/h5-6H,1-4,11H2,(H,12,13,14)
InChIKeyBQERUYHNLUQQGL-UHFFFAOYSA-N
XLogP1.41
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclobutylmethyl)-6-fluoropyrimidine-4,5-diamine?
The IUPAC name of 4-N-(cyclobutylmethyl)-6-fluoropyrimidine-4,5-diamine (CID 164657823) is 4-N-(cyclobutylmethyl)-6-fluoropyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(cyclobutylmethyl)-6-fluoropyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(cyclobutylmethyl)-6-fluoropyrimidine-4,5-diamine is Nc1c(F)ncnc1NCC1CCC1.
What is the InChIKey of 4-N-(cyclobutylmethyl)-6-fluoropyrimidine-4,5-diamine?
The InChIKey is BQERUYHNLUQQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4/c10-8-7(11)9(14-5-13-8)12-4-6-2-1-3-6/h5-6H,1-4,11H2,(H,12,13,14).
What are the key properties of 4-N-(cyclobutylmethyl)-6-fluoropyrimidine-4,5-diamine?
4-N-(cyclobutylmethyl)-6-fluoropyrimidine-4,5-diamine has a molecular weight of 196.23 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclobutylmethyl)-6-fluoropyrimidine-4,5-diamine is sourced from PubChem (CID 164657823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).