5-fluoro-6-methyl-N-(3-methylcyclopentyl)pyrimidin-4-amine

C11H16FN3 — CID 105042682

IUPAC5-fluoro-6-methyl-N-(3-methylcyclopentyl)pyrimidin-4-amine
SMILESCc1ncnc(NC2CCC(C)C2)c1F
InChIInChI=1S/C11H16FN3/c1-7-3-4-9(5-7)15-11-10(12)8(2)13-6-14-11/h6-7,9H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyHMIMXPNREOIKLM-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.52
Rot. Bonds2

About 5-fluoro-6-methyl-N-(3-methylcyclopentyl)pyrimidin-4-amine

5-fluoro-6-methyl-N-(3-methylcyclopentyl)pyrimidin-4-amine (PubChem CID 105042682) has the molecular formula C11H16FN3 and a molecular weight of 209.27 g/mol. Its IUPAC name is 5-fluoro-6-methyl-N-(3-methylcyclopentyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-6-methyl-N-(3-methylcyclopentyl)pyrimidin-4-amine
PubChem CID105042682
Molecular FormulaC11H16FN3
Molecular Weight209.27 g/mol
Exact Mass209.13
IUPAC Name5-fluoro-6-methyl-N-(3-methylcyclopentyl)pyrimidin-4-amine
SMILESCc1ncnc(NC2CCC(C)C2)c1F
InChIInChI=1S/C11H16FN3/c1-7-3-4-9(5-7)15-11-10(12)8(2)13-6-14-11/h6-7,9H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyHMIMXPNREOIKLM-UHFFFAOYSA-N
XLogP2.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-N-(3-methylcyclopentyl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-6-methyl-N-(3-methylcyclopentyl)pyrimidin-4-amine (CID 105042682) is 5-fluoro-6-methyl-N-(3-methylcyclopentyl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-6-methyl-N-(3-methylcyclopentyl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-6-methyl-N-(3-methylcyclopentyl)pyrimidin-4-amine is Cc1ncnc(NC2CCC(C)C2)c1F.
What is the InChIKey of 5-fluoro-6-methyl-N-(3-methylcyclopentyl)pyrimidin-4-amine?
The InChIKey is HMIMXPNREOIKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3/c1-7-3-4-9(5-7)15-11-10(12)8(2)13-6-14-11/h6-7,9H,3-5H2,1-2H3,(H,13,14,15).
What are the key properties of 5-fluoro-6-methyl-N-(3-methylcyclopentyl)pyrimidin-4-amine?
5-fluoro-6-methyl-N-(3-methylcyclopentyl)pyrimidin-4-amine has a molecular weight of 209.27 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-N-(3-methylcyclopentyl)pyrimidin-4-amine is sourced from PubChem (CID 105042682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).