2-cyclopropyl-6-(4-propoxyphenoxy)pyrimidin-4-amine

C16H19N3O2 — CID 80966516

IUPAC2-cyclopropyl-6-(4-propoxyphenoxy)pyrimidin-4-amine
SMILESCCCOc1ccc(Oc2cc(N)nc(C3CC3)n2)cc1
InChIInChI=1S/C16H19N3O2/c1-2-9-20-12-5-7-13(8-6-12)21-15-10-14(17)18-16(19-15)11-3-4-11/h5-8,10-11H,2-4,9H2,1H3,(H2,17,18,19)
InChIKeyRQHSTHYEPPLTLF-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.52
Rot. Bonds6

About 2-cyclopropyl-6-(4-propoxyphenoxy)pyrimidin-4-amine

2-cyclopropyl-6-(4-propoxyphenoxy)pyrimidin-4-amine (PubChem CID 80966516) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-cyclopropyl-6-(4-propoxyphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(4-propoxyphenoxy)pyrimidin-4-amine
PubChem CID80966516
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-cyclopropyl-6-(4-propoxyphenoxy)pyrimidin-4-amine
SMILESCCCOc1ccc(Oc2cc(N)nc(C3CC3)n2)cc1
InChIInChI=1S/C16H19N3O2/c1-2-9-20-12-5-7-13(8-6-12)21-15-10-14(17)18-16(19-15)11-3-4-11/h5-8,10-11H,2-4,9H2,1H3,(H2,17,18,19)
InChIKeyRQHSTHYEPPLTLF-UHFFFAOYSA-N
XLogP3.52
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(4-propoxyphenoxy)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(4-propoxyphenoxy)pyrimidin-4-amine (CID 80966516) is 2-cyclopropyl-6-(4-propoxyphenoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(4-propoxyphenoxy)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(4-propoxyphenoxy)pyrimidin-4-amine is CCCOc1ccc(Oc2cc(N)nc(C3CC3)n2)cc1.
What is the InChIKey of 2-cyclopropyl-6-(4-propoxyphenoxy)pyrimidin-4-amine?
The InChIKey is RQHSTHYEPPLTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-9-20-12-5-7-13(8-6-12)21-15-10-14(17)18-16(19-15)11-3-4-11/h5-8,10-11H,2-4,9H2,1H3,(H2,17,18,19).
What are the key properties of 2-cyclopropyl-6-(4-propoxyphenoxy)pyrimidin-4-amine?
2-cyclopropyl-6-(4-propoxyphenoxy)pyrimidin-4-amine has a molecular weight of 285.35 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(4-propoxyphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80966516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).