3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine

C15H27N3 — CID 62744572

IUPAC3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
SMILESCCCc1nc(C)c(CCCNC(C)C)c(C)n1
InChIInChI=1S/C15H27N3/c1-6-8-15-17-12(4)14(13(5)18-15)9-7-10-16-11(2)3/h11,16H,6-10H2,1-5H3
InChIKeyWHSNPBJJSIYBIP-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.98
Rot. Bonds7

About 3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine

3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 62744572) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
PubChem CID62744572
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
SMILESCCCc1nc(C)c(CCCNC(C)C)c(C)n1
InChIInChI=1S/C15H27N3/c1-6-8-15-17-12(4)14(13(5)18-15)9-7-10-16-11(2)3/h11,16H,6-10H2,1-5H3
InChIKeyWHSNPBJJSIYBIP-UHFFFAOYSA-N
XLogP2.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine (CID 62744572) is 3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine is CCCc1nc(C)c(CCCNC(C)C)c(C)n1.
What is the InChIKey of 3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is WHSNPBJJSIYBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-6-8-15-17-12(4)14(13(5)18-15)9-7-10-16-11(2)3/h11,16H,6-10H2,1-5H3.
What are the key properties of 3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine?
3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 2.98, 7 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-propylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 62744572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).