3-[4,6-dimethyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]propan-1-amine

C17H23N3 — CID 62744192

IUPAC3-[4,6-dimethyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]propan-1-amine
SMILESCc1ccccc1Cc1nc(C)c(CCCN)c(C)n1
InChIInChI=1S/C17H23N3/c1-12-7-4-5-8-15(12)11-17-19-13(2)16(9-6-10-18)14(3)20-17/h4-5,7-8H,6,9-11,18H2,1-3H3
InChIKeyVTLCGHQXRDKAGP-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.88
Rot. Bonds5

About 3-[4,6-dimethyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]propan-1-amine

3-[4,6-dimethyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]propan-1-amine (PubChem CID 62744192) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-[4,6-dimethyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4,6-dimethyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]propan-1-amine
PubChem CID62744192
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name3-[4,6-dimethyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]propan-1-amine
SMILESCc1ccccc1Cc1nc(C)c(CCCN)c(C)n1
InChIInChI=1S/C17H23N3/c1-12-7-4-5-8-15(12)11-17-19-13(2)16(9-6-10-18)14(3)20-17/h4-5,7-8H,6,9-11,18H2,1-3H3
InChIKeyVTLCGHQXRDKAGP-UHFFFAOYSA-N
XLogP2.88
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4,6-dimethyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]propan-1-amine?
The IUPAC name of 3-[4,6-dimethyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]propan-1-amine (CID 62744192) is 3-[4,6-dimethyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]propan-1-amine.
What is the SMILES notation for 3-[4,6-dimethyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]propan-1-amine?
The canonical SMILES for 3-[4,6-dimethyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]propan-1-amine is Cc1ccccc1Cc1nc(C)c(CCCN)c(C)n1.
What is the InChIKey of 3-[4,6-dimethyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]propan-1-amine?
The InChIKey is VTLCGHQXRDKAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12-7-4-5-8-15(12)11-17-19-13(2)16(9-6-10-18)14(3)20-17/h4-5,7-8H,6,9-11,18H2,1-3H3.
What are the key properties of 3-[4,6-dimethyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]propan-1-amine?
3-[4,6-dimethyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]propan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,6-dimethyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]propan-1-amine is sourced from PubChem (CID 62744192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).