5-methoxy-2-phenyl-N-propan-2-ylpyrimidin-4-amine

C14H17N3O — CID 51040074

IUPAC5-methoxy-2-phenyl-N-propan-2-ylpyrimidin-4-amine
SMILESCOc1cnc(-c2ccccc2)nc1NC(C)C
InChIInChI=1S/C14H17N3O/c1-10(2)16-14-12(18-3)9-15-13(17-14)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,15,16,17)
InChIKeyWRDVIGYXWSKIDE-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.97
Rot. Bonds4

About 5-methoxy-2-phenyl-N-propan-2-ylpyrimidin-4-amine

5-methoxy-2-phenyl-N-propan-2-ylpyrimidin-4-amine (PubChem CID 51040074) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-methoxy-2-phenyl-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methoxy-2-phenyl-N-propan-2-ylpyrimidin-4-amine
PubChem CID51040074
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name5-methoxy-2-phenyl-N-propan-2-ylpyrimidin-4-amine
SMILESCOc1cnc(-c2ccccc2)nc1NC(C)C
InChIInChI=1S/C14H17N3O/c1-10(2)16-14-12(18-3)9-15-13(17-14)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,15,16,17)
InChIKeyWRDVIGYXWSKIDE-UHFFFAOYSA-N
XLogP2.97
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-phenyl-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-methoxy-2-phenyl-N-propan-2-ylpyrimidin-4-amine (CID 51040074) is 5-methoxy-2-phenyl-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-methoxy-2-phenyl-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-methoxy-2-phenyl-N-propan-2-ylpyrimidin-4-amine is COc1cnc(-c2ccccc2)nc1NC(C)C.
What is the InChIKey of 5-methoxy-2-phenyl-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is WRDVIGYXWSKIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10(2)16-14-12(18-3)9-15-13(17-14)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,15,16,17).
What are the key properties of 5-methoxy-2-phenyl-N-propan-2-ylpyrimidin-4-amine?
5-methoxy-2-phenyl-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-phenyl-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 51040074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).