6-fluoro-N-[1-(1-methylcyclopropyl)cyclopropyl]pyrimidin-4-amine

C11H14FN3 — CID 130959924

IUPAC6-fluoro-N-[1-(1-methylcyclopropyl)cyclopropyl]pyrimidin-4-amine
SMILESCC1(C2(Nc3cc(F)ncn3)CC2)CC1
InChIInChI=1S/C11H14FN3/c1-10(2-3-10)11(4-5-11)15-9-6-8(12)13-7-14-9/h6-7H,2-5H2,1H3,(H,13,14,15)
InChIKeyVMQFWCUXZLPYQY-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.36
Rot. Bonds3

About 6-fluoro-N-[1-(1-methylcyclopropyl)cyclopropyl]pyrimidin-4-amine

6-fluoro-N-[1-(1-methylcyclopropyl)cyclopropyl]pyrimidin-4-amine (PubChem CID 130959924) has the molecular formula C11H14FN3 and a molecular weight of 207.25 g/mol. Its IUPAC name is 6-fluoro-N-[1-(1-methylcyclopropyl)cyclopropyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-[1-(1-methylcyclopropyl)cyclopropyl]pyrimidin-4-amine
PubChem CID130959924
Molecular FormulaC11H14FN3
Molecular Weight207.25 g/mol
Exact Mass207.12
IUPAC Name6-fluoro-N-[1-(1-methylcyclopropyl)cyclopropyl]pyrimidin-4-amine
SMILESCC1(C2(Nc3cc(F)ncn3)CC2)CC1
InChIInChI=1S/C11H14FN3/c1-10(2-3-10)11(4-5-11)15-9-6-8(12)13-7-14-9/h6-7H,2-5H2,1H3,(H,13,14,15)
InChIKeyVMQFWCUXZLPYQY-UHFFFAOYSA-N
XLogP2.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[1-(1-methylcyclopropyl)cyclopropyl]pyrimidin-4-amine?
The IUPAC name of 6-fluoro-N-[1-(1-methylcyclopropyl)cyclopropyl]pyrimidin-4-amine (CID 130959924) is 6-fluoro-N-[1-(1-methylcyclopropyl)cyclopropyl]pyrimidin-4-amine.
What is the SMILES notation for 6-fluoro-N-[1-(1-methylcyclopropyl)cyclopropyl]pyrimidin-4-amine?
The canonical SMILES for 6-fluoro-N-[1-(1-methylcyclopropyl)cyclopropyl]pyrimidin-4-amine is CC1(C2(Nc3cc(F)ncn3)CC2)CC1.
What is the InChIKey of 6-fluoro-N-[1-(1-methylcyclopropyl)cyclopropyl]pyrimidin-4-amine?
The InChIKey is VMQFWCUXZLPYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3/c1-10(2-3-10)11(4-5-11)15-9-6-8(12)13-7-14-9/h6-7H,2-5H2,1H3,(H,13,14,15).
What are the key properties of 6-fluoro-N-[1-(1-methylcyclopropyl)cyclopropyl]pyrimidin-4-amine?
6-fluoro-N-[1-(1-methylcyclopropyl)cyclopropyl]pyrimidin-4-amine has a molecular weight of 207.25 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[1-(1-methylcyclopropyl)cyclopropyl]pyrimidin-4-amine is sourced from PubChem (CID 130959924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).