[4-(6-methyl-2-phenylpyrimidin-4-yl)morpholin-2-yl]methanamine

C16H20N4O — CID 50974664

IUPAC[4-(6-methyl-2-phenylpyrimidin-4-yl)morpholin-2-yl]methanamine
SMILESCc1cc(N2CCOC(CN)C2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H20N4O/c1-12-9-15(20-7-8-21-14(10-17)11-20)19-16(18-12)13-5-3-2-4-6-13/h2-6,9,14H,7-8,10-11,17H2,1H3
InChIKeyGPXWEWGKQVMWII-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.62
Rot. Bonds3

About [4-(6-methyl-2-phenylpyrimidin-4-yl)morpholin-2-yl]methanamine

[4-(6-methyl-2-phenylpyrimidin-4-yl)morpholin-2-yl]methanamine (PubChem CID 50974664) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is [4-(6-methyl-2-phenylpyrimidin-4-yl)morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(6-methyl-2-phenylpyrimidin-4-yl)morpholin-2-yl]methanamine
PubChem CID50974664
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name[4-(6-methyl-2-phenylpyrimidin-4-yl)morpholin-2-yl]methanamine
SMILESCc1cc(N2CCOC(CN)C2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H20N4O/c1-12-9-15(20-7-8-21-14(10-17)11-20)19-16(18-12)13-5-3-2-4-6-13/h2-6,9,14H,7-8,10-11,17H2,1H3
InChIKeyGPXWEWGKQVMWII-UHFFFAOYSA-N
XLogP1.62
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(6-methyl-2-phenylpyrimidin-4-yl)morpholin-2-yl]methanamine?
The IUPAC name of [4-(6-methyl-2-phenylpyrimidin-4-yl)morpholin-2-yl]methanamine (CID 50974664) is [4-(6-methyl-2-phenylpyrimidin-4-yl)morpholin-2-yl]methanamine.
What is the SMILES notation for [4-(6-methyl-2-phenylpyrimidin-4-yl)morpholin-2-yl]methanamine?
The canonical SMILES for [4-(6-methyl-2-phenylpyrimidin-4-yl)morpholin-2-yl]methanamine is Cc1cc(N2CCOC(CN)C2)nc(-c2ccccc2)n1.
What is the InChIKey of [4-(6-methyl-2-phenylpyrimidin-4-yl)morpholin-2-yl]methanamine?
The InChIKey is GPXWEWGKQVMWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12-9-15(20-7-8-21-14(10-17)11-20)19-16(18-12)13-5-3-2-4-6-13/h2-6,9,14H,7-8,10-11,17H2,1H3.
What are the key properties of [4-(6-methyl-2-phenylpyrimidin-4-yl)morpholin-2-yl]methanamine?
[4-(6-methyl-2-phenylpyrimidin-4-yl)morpholin-2-yl]methanamine has a molecular weight of 284.36 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methyl-2-phenylpyrimidin-4-yl)morpholin-2-yl]methanamine is sourced from PubChem (CID 50974664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).