3-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine

C17H32N4 — CID 115347195

IUPAC3-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCc1nc(CCN(C)C)nc(C)c1CC(C)CNC(C)C
InChIInChI=1S/C17H32N4/c1-12(2)18-11-13(3)10-16-14(4)19-17(20-15(16)5)8-9-21(6)7/h12-13,18H,8-11H2,1-7H3
InChIKeyKXTMRGMHROKOHK-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.37
Rot. Bonds8

About 3-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine

3-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 115347195) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 3-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine
PubChem CID115347195
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name3-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCc1nc(CCN(C)C)nc(C)c1CC(C)CNC(C)C
InChIInChI=1S/C17H32N4/c1-12(2)18-11-13(3)10-16-14(4)19-17(20-15(16)5)8-9-21(6)7/h12-13,18H,8-11H2,1-7H3
InChIKeyKXTMRGMHROKOHK-UHFFFAOYSA-N
XLogP2.37
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine (CID 115347195) is 3-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine is Cc1nc(CCN(C)C)nc(C)c1CC(C)CNC(C)C.
What is the InChIKey of 3-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is KXTMRGMHROKOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-12(2)18-11-13(3)10-16-14(4)19-17(20-15(16)5)8-9-21(6)7/h12-13,18H,8-11H2,1-7H3.
What are the key properties of 3-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine?
3-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 292.47 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 115347195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).