2-cyclopropyl-6-methoxy-N-(1-phenylethyl)pyrimidin-4-amine

C16H19N3O — CID 82456359

IUPAC2-cyclopropyl-6-methoxy-N-(1-phenylethyl)pyrimidin-4-amine
SMILESCOc1cc(NC(C)c2ccccc2)nc(C2CC2)n1
InChIInChI=1S/C16H19N3O/c1-11(12-6-4-3-5-7-12)17-14-10-15(20-2)19-16(18-14)13-8-9-13/h3-7,10-11,13H,8-9H2,1-2H3,(H,17,18,19)
InChIKeyYDSSBLSNSKUHHK-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.54
Rot. Bonds5

About 2-cyclopropyl-6-methoxy-N-(1-phenylethyl)pyrimidin-4-amine

2-cyclopropyl-6-methoxy-N-(1-phenylethyl)pyrimidin-4-amine (PubChem CID 82456359) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-cyclopropyl-6-methoxy-N-(1-phenylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-methoxy-N-(1-phenylethyl)pyrimidin-4-amine
PubChem CID82456359
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-cyclopropyl-6-methoxy-N-(1-phenylethyl)pyrimidin-4-amine
SMILESCOc1cc(NC(C)c2ccccc2)nc(C2CC2)n1
InChIInChI=1S/C16H19N3O/c1-11(12-6-4-3-5-7-12)17-14-10-15(20-2)19-16(18-14)13-8-9-13/h3-7,10-11,13H,8-9H2,1-2H3,(H,17,18,19)
InChIKeyYDSSBLSNSKUHHK-UHFFFAOYSA-N
XLogP3.54
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-methoxy-N-(1-phenylethyl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-methoxy-N-(1-phenylethyl)pyrimidin-4-amine (CID 82456359) is 2-cyclopropyl-6-methoxy-N-(1-phenylethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-methoxy-N-(1-phenylethyl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-methoxy-N-(1-phenylethyl)pyrimidin-4-amine is COc1cc(NC(C)c2ccccc2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-methoxy-N-(1-phenylethyl)pyrimidin-4-amine?
The InChIKey is YDSSBLSNSKUHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11(12-6-4-3-5-7-12)17-14-10-15(20-2)19-16(18-14)13-8-9-13/h3-7,10-11,13H,8-9H2,1-2H3,(H,17,18,19).
What are the key properties of 2-cyclopropyl-6-methoxy-N-(1-phenylethyl)pyrimidin-4-amine?
2-cyclopropyl-6-methoxy-N-(1-phenylethyl)pyrimidin-4-amine has a molecular weight of 269.35 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-methoxy-N-(1-phenylethyl)pyrimidin-4-amine is sourced from PubChem (CID 82456359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).