1-(4-methyl-2-phenylpyrimidin-5-yl)butan-2-amine

C15H19N3 — CID 170888827

IUPAC1-(4-methyl-2-phenylpyrimidin-5-yl)butan-2-amine
SMILESCCC(N)Cc1cnc(-c2ccccc2)nc1C
InChIInChI=1S/C15H19N3/c1-3-14(16)9-13-10-17-15(18-11(13)2)12-7-5-4-6-8-12/h4-8,10,14H,3,9,16H2,1-2H3
InChIKeyFIVVAPGCHVDJKH-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.73
Rot. Bonds4

About 1-(4-methyl-2-phenylpyrimidin-5-yl)butan-2-amine

1-(4-methyl-2-phenylpyrimidin-5-yl)butan-2-amine (PubChem CID 170888827) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 1-(4-methyl-2-phenylpyrimidin-5-yl)butan-2-amine.

Molecular Properties

Compound Name1-(4-methyl-2-phenylpyrimidin-5-yl)butan-2-amine
PubChem CID170888827
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name1-(4-methyl-2-phenylpyrimidin-5-yl)butan-2-amine
SMILESCCC(N)Cc1cnc(-c2ccccc2)nc1C
InChIInChI=1S/C15H19N3/c1-3-14(16)9-13-10-17-15(18-11(13)2)12-7-5-4-6-8-12/h4-8,10,14H,3,9,16H2,1-2H3
InChIKeyFIVVAPGCHVDJKH-UHFFFAOYSA-N
XLogP2.73
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-phenylpyrimidin-5-yl)butan-2-amine?
The IUPAC name of 1-(4-methyl-2-phenylpyrimidin-5-yl)butan-2-amine (CID 170888827) is 1-(4-methyl-2-phenylpyrimidin-5-yl)butan-2-amine.
What is the SMILES notation for 1-(4-methyl-2-phenylpyrimidin-5-yl)butan-2-amine?
The canonical SMILES for 1-(4-methyl-2-phenylpyrimidin-5-yl)butan-2-amine is CCC(N)Cc1cnc(-c2ccccc2)nc1C.
What is the InChIKey of 1-(4-methyl-2-phenylpyrimidin-5-yl)butan-2-amine?
The InChIKey is FIVVAPGCHVDJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-3-14(16)9-13-10-17-15(18-11(13)2)12-7-5-4-6-8-12/h4-8,10,14H,3,9,16H2,1-2H3.
What are the key properties of 1-(4-methyl-2-phenylpyrimidin-5-yl)butan-2-amine?
1-(4-methyl-2-phenylpyrimidin-5-yl)butan-2-amine has a molecular weight of 241.34 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-phenylpyrimidin-5-yl)butan-2-amine is sourced from PubChem (CID 170888827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).