6-cyclopropyl-2-(1-ethoxypropyl)pyrimidin-4-amine

C12H19N3O — CID 116729139

IUPAC6-cyclopropyl-2-(1-ethoxypropyl)pyrimidin-4-amine
SMILESCCOC(CC)c1nc(N)cc(C2CC2)n1
InChIInChI=1S/C12H19N3O/c1-3-10(16-4-2)12-14-9(8-5-6-8)7-11(13)15-12/h7-8,10H,3-6H2,1-2H3,(H2,13,14,15)
InChIKeyCGTJZIBWSWFFMP-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.42
Rot. Bonds5

About 6-cyclopropyl-2-(1-ethoxypropyl)pyrimidin-4-amine

6-cyclopropyl-2-(1-ethoxypropyl)pyrimidin-4-amine (PubChem CID 116729139) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 6-cyclopropyl-2-(1-ethoxypropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-2-(1-ethoxypropyl)pyrimidin-4-amine
PubChem CID116729139
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name6-cyclopropyl-2-(1-ethoxypropyl)pyrimidin-4-amine
SMILESCCOC(CC)c1nc(N)cc(C2CC2)n1
InChIInChI=1S/C12H19N3O/c1-3-10(16-4-2)12-14-9(8-5-6-8)7-11(13)15-12/h7-8,10H,3-6H2,1-2H3,(H2,13,14,15)
InChIKeyCGTJZIBWSWFFMP-UHFFFAOYSA-N
XLogP2.42
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-(1-ethoxypropyl)pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-2-(1-ethoxypropyl)pyrimidin-4-amine (CID 116729139) is 6-cyclopropyl-2-(1-ethoxypropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-2-(1-ethoxypropyl)pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-2-(1-ethoxypropyl)pyrimidin-4-amine is CCOC(CC)c1nc(N)cc(C2CC2)n1.
What is the InChIKey of 6-cyclopropyl-2-(1-ethoxypropyl)pyrimidin-4-amine?
The InChIKey is CGTJZIBWSWFFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-10(16-4-2)12-14-9(8-5-6-8)7-11(13)15-12/h7-8,10H,3-6H2,1-2H3,(H2,13,14,15).
What are the key properties of 6-cyclopropyl-2-(1-ethoxypropyl)pyrimidin-4-amine?
6-cyclopropyl-2-(1-ethoxypropyl)pyrimidin-4-amine has a molecular weight of 221.30 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(1-ethoxypropyl)pyrimidin-4-amine is sourced from PubChem (CID 116729139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).