3-[4-(2,5-dimethylphenyl)-6-methylpyrimidin-2-yl]butan-1-amine

C17H23N3 — CID 116892969

IUPAC3-[4-(2,5-dimethylphenyl)-6-methylpyrimidin-2-yl]butan-1-amine
SMILESCc1ccc(C)c(-c2cc(C)nc(C(C)CCN)n2)c1
InChIInChI=1S/C17H23N3/c1-11-5-6-12(2)15(9-11)16-10-14(4)19-17(20-16)13(3)7-8-18/h5-6,9-10,13H,7-8,18H2,1-4H3
InChIKeyUYZWNENSRXPNBK-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.52
Rot. Bonds4

About 3-[4-(2,5-dimethylphenyl)-6-methylpyrimidin-2-yl]butan-1-amine

3-[4-(2,5-dimethylphenyl)-6-methylpyrimidin-2-yl]butan-1-amine (PubChem CID 116892969) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-[4-(2,5-dimethylphenyl)-6-methylpyrimidin-2-yl]butan-1-amine.

Molecular Properties

Compound Name3-[4-(2,5-dimethylphenyl)-6-methylpyrimidin-2-yl]butan-1-amine
PubChem CID116892969
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name3-[4-(2,5-dimethylphenyl)-6-methylpyrimidin-2-yl]butan-1-amine
SMILESCc1ccc(C)c(-c2cc(C)nc(C(C)CCN)n2)c1
InChIInChI=1S/C17H23N3/c1-11-5-6-12(2)15(9-11)16-10-14(4)19-17(20-16)13(3)7-8-18/h5-6,9-10,13H,7-8,18H2,1-4H3
InChIKeyUYZWNENSRXPNBK-UHFFFAOYSA-N
XLogP3.52
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,5-dimethylphenyl)-6-methylpyrimidin-2-yl]butan-1-amine?
The IUPAC name of 3-[4-(2,5-dimethylphenyl)-6-methylpyrimidin-2-yl]butan-1-amine (CID 116892969) is 3-[4-(2,5-dimethylphenyl)-6-methylpyrimidin-2-yl]butan-1-amine.
What is the SMILES notation for 3-[4-(2,5-dimethylphenyl)-6-methylpyrimidin-2-yl]butan-1-amine?
The canonical SMILES for 3-[4-(2,5-dimethylphenyl)-6-methylpyrimidin-2-yl]butan-1-amine is Cc1ccc(C)c(-c2cc(C)nc(C(C)CCN)n2)c1.
What is the InChIKey of 3-[4-(2,5-dimethylphenyl)-6-methylpyrimidin-2-yl]butan-1-amine?
The InChIKey is UYZWNENSRXPNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-11-5-6-12(2)15(9-11)16-10-14(4)19-17(20-16)13(3)7-8-18/h5-6,9-10,13H,7-8,18H2,1-4H3.
What are the key properties of 3-[4-(2,5-dimethylphenyl)-6-methylpyrimidin-2-yl]butan-1-amine?
3-[4-(2,5-dimethylphenyl)-6-methylpyrimidin-2-yl]butan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,5-dimethylphenyl)-6-methylpyrimidin-2-yl]butan-1-amine is sourced from PubChem (CID 116892969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).