4-(6-methoxy-3-pyridinyl)-N-methyl-N-phenylpyrimidin-2-amine

C17H16N4O — CID 170970474

IUPAC4-(6-methoxy-3-pyridinyl)-N-methyl-N-phenylpyrimidin-2-amine
SMILESCOc1ccc(-c2ccnc(N(C)c3ccccc3)n2)cn1
InChIInChI=1S/C17H16N4O/c1-21(14-6-4-3-5-7-14)17-18-11-10-15(20-17)13-8-9-16(22-2)19-12-13/h3-12H,1-2H3
InChIKeyZIHYCCGVXZKLDQ-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.32
Rot. Bonds4

About 4-(6-methoxy-3-pyridinyl)-N-methyl-N-phenylpyrimidin-2-amine

4-(6-methoxy-3-pyridinyl)-N-methyl-N-phenylpyrimidin-2-amine (PubChem CID 170970474) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-(6-methoxy-3-pyridinyl)-N-methyl-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(6-methoxy-3-pyridinyl)-N-methyl-N-phenylpyrimidin-2-amine
PubChem CID170970474
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name4-(6-methoxy-3-pyridinyl)-N-methyl-N-phenylpyrimidin-2-amine
SMILESCOc1ccc(-c2ccnc(N(C)c3ccccc3)n2)cn1
InChIInChI=1S/C17H16N4O/c1-21(14-6-4-3-5-7-14)17-18-11-10-15(20-17)13-8-9-16(22-2)19-12-13/h3-12H,1-2H3
InChIKeyZIHYCCGVXZKLDQ-UHFFFAOYSA-N
XLogP3.32
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-3-pyridinyl)-N-methyl-N-phenylpyrimidin-2-amine?
The IUPAC name of 4-(6-methoxy-3-pyridinyl)-N-methyl-N-phenylpyrimidin-2-amine (CID 170970474) is 4-(6-methoxy-3-pyridinyl)-N-methyl-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-(6-methoxy-3-pyridinyl)-N-methyl-N-phenylpyrimidin-2-amine?
The canonical SMILES for 4-(6-methoxy-3-pyridinyl)-N-methyl-N-phenylpyrimidin-2-amine is COc1ccc(-c2ccnc(N(C)c3ccccc3)n2)cn1.
What is the InChIKey of 4-(6-methoxy-3-pyridinyl)-N-methyl-N-phenylpyrimidin-2-amine?
The InChIKey is ZIHYCCGVXZKLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-21(14-6-4-3-5-7-14)17-18-11-10-15(20-17)13-8-9-16(22-2)19-12-13/h3-12H,1-2H3.
What are the key properties of 4-(6-methoxy-3-pyridinyl)-N-methyl-N-phenylpyrimidin-2-amine?
4-(6-methoxy-3-pyridinyl)-N-methyl-N-phenylpyrimidin-2-amine has a molecular weight of 292.34 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-3-pyridinyl)-N-methyl-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 170970474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).