2-(1-methoxybutyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine

C17H23N3O — CID 116730198

IUPAC2-(1-methoxybutyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine
SMILESCCCC(OC)c1nc(NC)c(C)c(-c2ccccc2)n1
InChIInChI=1S/C17H23N3O/c1-5-9-14(21-4)17-19-15(12(2)16(18-3)20-17)13-10-7-6-8-11-13/h6-8,10-11,14H,5,9H2,1-4H3,(H,18,19,20)
InChIKeyAPJNMQYBAJVXFB-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.98
Rot. Bonds6

About 2-(1-methoxybutyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine

2-(1-methoxybutyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine (PubChem CID 116730198) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(1-methoxybutyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-methoxybutyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine
PubChem CID116730198
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-(1-methoxybutyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine
SMILESCCCC(OC)c1nc(NC)c(C)c(-c2ccccc2)n1
InChIInChI=1S/C17H23N3O/c1-5-9-14(21-4)17-19-15(12(2)16(18-3)20-17)13-10-7-6-8-11-13/h6-8,10-11,14H,5,9H2,1-4H3,(H,18,19,20)
InChIKeyAPJNMQYBAJVXFB-UHFFFAOYSA-N
XLogP3.98
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxybutyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine?
The IUPAC name of 2-(1-methoxybutyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine (CID 116730198) is 2-(1-methoxybutyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-methoxybutyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine?
The canonical SMILES for 2-(1-methoxybutyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine is CCCC(OC)c1nc(NC)c(C)c(-c2ccccc2)n1.
What is the InChIKey of 2-(1-methoxybutyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine?
The InChIKey is APJNMQYBAJVXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-9-14(21-4)17-19-15(12(2)16(18-3)20-17)13-10-7-6-8-11-13/h6-8,10-11,14H,5,9H2,1-4H3,(H,18,19,20).
What are the key properties of 2-(1-methoxybutyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine?
2-(1-methoxybutyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxybutyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 116730198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).