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

C16H29N3 — CID 65293588

IUPAC3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCCCc1nc(C)c(CC(C)CNC(C)C)c(C)n1
InChIInChI=1S/C16H29N3/c1-7-8-16-18-13(5)15(14(6)19-16)9-12(4)10-17-11(2)3/h11-12,17H,7-10H2,1-6H3
InChIKeyICRNUBPTDBTIDV-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.22
Rot. Bonds7

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

3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 65293588) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine
PubChem CID65293588
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCCCc1nc(C)c(CC(C)CNC(C)C)c(C)n1
InChIInChI=1S/C16H29N3/c1-7-8-16-18-13(5)15(14(6)19-16)9-12(4)10-17-11(2)3/h11-12,17H,7-10H2,1-6H3
InChIKeyICRNUBPTDBTIDV-UHFFFAOYSA-N
XLogP3.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.22
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-propylpyrimidin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine (CID 65293588) is 3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine is CCCc1nc(C)c(CC(C)CNC(C)C)c(C)n1.
What is the InChIKey of 3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is ICRNUBPTDBTIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-7-8-16-18-13(5)15(14(6)19-16)9-12(4)10-17-11(2)3/h11-12,17H,7-10H2,1-6H3.
What are the key properties of 3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine?
3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.22, 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)-2-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 65293588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).