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

C16H29N3 — CID 65293872

IUPAC3-(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCc1nc(C(C)C)nc(C)c1CC(C)CNC(C)C
InChIInChI=1S/C16H29N3/c1-10(2)16-18-13(6)15(14(7)19-16)8-12(5)9-17-11(3)4/h10-12,17H,8-9H2,1-7H3
InChIKeyQPGZIAWUPLAVFT-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.39
Rot. Bonds6

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

3-(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 65293872) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine
PubChem CID65293872
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name3-(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCc1nc(C(C)C)nc(C)c1CC(C)CNC(C)C
InChIInChI=1S/C16H29N3/c1-10(2)16-18-13(6)15(14(7)19-16)8-12(5)9-17-11(3)4/h10-12,17H,8-9H2,1-7H3
InChIKeyQPGZIAWUPLAVFT-UHFFFAOYSA-N
XLogP3.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.39
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-propan-2-ylpyrimidin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine (CID 65293872) is 3-(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine is Cc1nc(C(C)C)nc(C)c1CC(C)CNC(C)C.
What is the InChIKey of 3-(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is QPGZIAWUPLAVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-10(2)16-18-13(6)15(14(7)19-16)8-12(5)9-17-11(3)4/h10-12,17H,8-9H2,1-7H3.
What are the key properties of 3-(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine?
3-(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.39, 6 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-propan-2-ylpyrimidin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 65293872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).