6-ethyl-N-(1-fluoropropan-2-yl)pyrimidin-4-amine

C9H14FN3 — CID 130875143

IUPAC6-ethyl-N-(1-fluoropropan-2-yl)pyrimidin-4-amine
SMILESCCc1cc(NC(C)CF)ncn1
InChIInChI=1S/C9H14FN3/c1-3-8-4-9(12-6-11-8)13-7(2)5-10/h4,6-7H,3,5H2,1-2H3,(H,11,12,13)
InChIKeyYKLXQOYFDGMBAR-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.81
Rot. Bonds4

About 6-ethyl-N-(1-fluoropropan-2-yl)pyrimidin-4-amine

6-ethyl-N-(1-fluoropropan-2-yl)pyrimidin-4-amine (PubChem CID 130875143) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is 6-ethyl-N-(1-fluoropropan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-(1-fluoropropan-2-yl)pyrimidin-4-amine
PubChem CID130875143
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC Name6-ethyl-N-(1-fluoropropan-2-yl)pyrimidin-4-amine
SMILESCCc1cc(NC(C)CF)ncn1
InChIInChI=1S/C9H14FN3/c1-3-8-4-9(12-6-11-8)13-7(2)5-10/h4,6-7H,3,5H2,1-2H3,(H,11,12,13)
InChIKeyYKLXQOYFDGMBAR-UHFFFAOYSA-N
XLogP1.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-(1-fluoropropan-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-(1-fluoropropan-2-yl)pyrimidin-4-amine (CID 130875143) is 6-ethyl-N-(1-fluoropropan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-(1-fluoropropan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-(1-fluoropropan-2-yl)pyrimidin-4-amine is CCc1cc(NC(C)CF)ncn1.
What is the InChIKey of 6-ethyl-N-(1-fluoropropan-2-yl)pyrimidin-4-amine?
The InChIKey is YKLXQOYFDGMBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3/c1-3-8-4-9(12-6-11-8)13-7(2)5-10/h4,6-7H,3,5H2,1-2H3,(H,11,12,13).
What are the key properties of 6-ethyl-N-(1-fluoropropan-2-yl)pyrimidin-4-amine?
6-ethyl-N-(1-fluoropropan-2-yl)pyrimidin-4-amine has a molecular weight of 183.23 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-(1-fluoropropan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 130875143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).