5-fluoro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-2-amine

C10H14FN3 — CID 126990894

IUPAC5-fluoro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-2-amine
SMILESCC1(CCNc2ncc(F)cn2)CC1
InChIInChI=1S/C10H14FN3/c1-10(2-3-10)4-5-12-9-13-6-8(11)7-14-9/h6-7H,2-5H2,1H3,(H,12,13,14)
InChIKeyZIGNYSGLAYSDTE-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.22
Rot. Bonds4

About 5-fluoro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-2-amine

5-fluoro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-2-amine (PubChem CID 126990894) has the molecular formula C10H14FN3 and a molecular weight of 195.24 g/mol. Its IUPAC name is 5-fluoro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-2-amine
PubChem CID126990894
Molecular FormulaC10H14FN3
Molecular Weight195.24 g/mol
Exact Mass195.12
IUPAC Name5-fluoro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-2-amine
SMILESCC1(CCNc2ncc(F)cn2)CC1
InChIInChI=1S/C10H14FN3/c1-10(2-3-10)4-5-12-9-13-6-8(11)7-14-9/h6-7H,2-5H2,1H3,(H,12,13,14)
InChIKeyZIGNYSGLAYSDTE-UHFFFAOYSA-N
XLogP2.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-2-amine (CID 126990894) is 5-fluoro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-2-amine is CC1(CCNc2ncc(F)cn2)CC1.
What is the InChIKey of 5-fluoro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-2-amine?
The InChIKey is ZIGNYSGLAYSDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3/c1-10(2-3-10)4-5-12-9-13-6-8(11)7-14-9/h6-7H,2-5H2,1H3,(H,12,13,14).
What are the key properties of 5-fluoro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-2-amine?
5-fluoro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-2-amine has a molecular weight of 195.24 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 126990894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).