1-(cyclopropylmethyl)-5-fluoro-2H-pyrimidin-4-amine

C8H12FN3 — CID 123921728

IUPAC1-(cyclopropylmethyl)-5-fluoro-2H-pyrimidin-4-amine
SMILESNC1=NCN(CC2CC2)C=C1F
InChIInChI=1S/C8H12FN3/c9-7-4-12(3-6-1-2-6)5-11-8(7)10/h4,6H,1-3,5H2,(H2,10,11)
InChIKeyPUBRKYJMZXEVCY-UHFFFAOYSA-N
MW169.20 g/mol
LogP0.84
Rot. Bonds2

About 1-(cyclopropylmethyl)-5-fluoro-2H-pyrimidin-4-amine

1-(cyclopropylmethyl)-5-fluoro-2H-pyrimidin-4-amine (PubChem CID 123921728) has the molecular formula C8H12FN3 and a molecular weight of 169.20 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-fluoro-2H-pyrimidin-4-amine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-fluoro-2H-pyrimidin-4-amine
PubChem CID123921728
Molecular FormulaC8H12FN3
Molecular Weight169.20 g/mol
Exact Mass169.10
IUPAC Name1-(cyclopropylmethyl)-5-fluoro-2H-pyrimidin-4-amine
SMILESNC1=NCN(CC2CC2)C=C1F
InChIInChI=1S/C8H12FN3/c9-7-4-12(3-6-1-2-6)5-11-8(7)10/h4,6H,1-3,5H2,(H2,10,11)
InChIKeyPUBRKYJMZXEVCY-UHFFFAOYSA-N
XLogP0.84
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-fluoro-2H-pyrimidin-4-amine?
The IUPAC name of 1-(cyclopropylmethyl)-5-fluoro-2H-pyrimidin-4-amine (CID 123921728) is 1-(cyclopropylmethyl)-5-fluoro-2H-pyrimidin-4-amine.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-fluoro-2H-pyrimidin-4-amine?
The canonical SMILES for 1-(cyclopropylmethyl)-5-fluoro-2H-pyrimidin-4-amine is NC1=NCN(CC2CC2)C=C1F.
What is the InChIKey of 1-(cyclopropylmethyl)-5-fluoro-2H-pyrimidin-4-amine?
The InChIKey is PUBRKYJMZXEVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3/c9-7-4-12(3-6-1-2-6)5-11-8(7)10/h4,6H,1-3,5H2,(H2,10,11).
What are the key properties of 1-(cyclopropylmethyl)-5-fluoro-2H-pyrimidin-4-amine?
1-(cyclopropylmethyl)-5-fluoro-2H-pyrimidin-4-amine has a molecular weight of 169.20 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-fluoro-2H-pyrimidin-4-amine is sourced from PubChem (CID 123921728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).