2-(3-cyclopropyloxyphenyl)pyrimidin-4-amine

C13H13N3O — CID 114522502

IUPAC2-(3-cyclopropyloxyphenyl)pyrimidin-4-amine
SMILESNc1ccnc(-c2cccc(OC3CC3)c2)n1
InChIInChI=1S/C13H13N3O/c14-12-6-7-15-13(16-12)9-2-1-3-11(8-9)17-10-4-5-10/h1-3,6-8,10H,4-5H2,(H2,14,15,16)
InChIKeyHAQHTJGAVVJURM-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.27
Rot. Bonds3

About 2-(3-cyclopropyloxyphenyl)pyrimidin-4-amine

2-(3-cyclopropyloxyphenyl)pyrimidin-4-amine (PubChem CID 114522502) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-(3-cyclopropyloxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-cyclopropyloxyphenyl)pyrimidin-4-amine
PubChem CID114522502
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name2-(3-cyclopropyloxyphenyl)pyrimidin-4-amine
SMILESNc1ccnc(-c2cccc(OC3CC3)c2)n1
InChIInChI=1S/C13H13N3O/c14-12-6-7-15-13(16-12)9-2-1-3-11(8-9)17-10-4-5-10/h1-3,6-8,10H,4-5H2,(H2,14,15,16)
InChIKeyHAQHTJGAVVJURM-UHFFFAOYSA-N
XLogP2.27
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyloxyphenyl)pyrimidin-4-amine?
The IUPAC name of 2-(3-cyclopropyloxyphenyl)pyrimidin-4-amine (CID 114522502) is 2-(3-cyclopropyloxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(3-cyclopropyloxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-(3-cyclopropyloxyphenyl)pyrimidin-4-amine is Nc1ccnc(-c2cccc(OC3CC3)c2)n1.
What is the InChIKey of 2-(3-cyclopropyloxyphenyl)pyrimidin-4-amine?
The InChIKey is HAQHTJGAVVJURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c14-12-6-7-15-13(16-12)9-2-1-3-11(8-9)17-10-4-5-10/h1-3,6-8,10H,4-5H2,(H2,14,15,16).
What are the key properties of 2-(3-cyclopropyloxyphenyl)pyrimidin-4-amine?
2-(3-cyclopropyloxyphenyl)pyrimidin-4-amine has a molecular weight of 227.27 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyloxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 114522502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).