6-fluoro-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,5-diamine

C9H13FN4 — CID 164657827

IUPAC6-fluoro-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,5-diamine
SMILESCC1CC1CNc1ncnc(F)c1N
InChIInChI=1S/C9H13FN4/c1-5-2-6(5)3-12-9-7(11)8(10)13-4-14-9/h4-6H,2-3,11H2,1H3,(H,12,13,14)
InChIKeyQJIWYTQOXDWVNS-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.27
Rot. Bonds3

About 6-fluoro-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,5-diamine

6-fluoro-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,5-diamine (PubChem CID 164657827) has the molecular formula C9H13FN4 and a molecular weight of 196.23 g/mol. Its IUPAC name is 6-fluoro-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-fluoro-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,5-diamine
PubChem CID164657827
Molecular FormulaC9H13FN4
Molecular Weight196.23 g/mol
Exact Mass196.11
IUPAC Name6-fluoro-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,5-diamine
SMILESCC1CC1CNc1ncnc(F)c1N
InChIInChI=1S/C9H13FN4/c1-5-2-6(5)3-12-9-7(11)8(10)13-4-14-9/h4-6H,2-3,11H2,1H3,(H,12,13,14)
InChIKeyQJIWYTQOXDWVNS-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,5-diamine?
The IUPAC name of 6-fluoro-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,5-diamine (CID 164657827) is 6-fluoro-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 6-fluoro-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,5-diamine?
The canonical SMILES for 6-fluoro-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,5-diamine is CC1CC1CNc1ncnc(F)c1N.
What is the InChIKey of 6-fluoro-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,5-diamine?
The InChIKey is QJIWYTQOXDWVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4/c1-5-2-6(5)3-12-9-7(11)8(10)13-4-14-9/h4-6H,2-3,11H2,1H3,(H,12,13,14).
What are the key properties of 6-fluoro-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,5-diamine?
6-fluoro-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,5-diamine has a molecular weight of 196.23 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 164657827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).