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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Related Compounds

3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 65293588
3-[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 65294013
3-(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 65293872
3-[2-(ethylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 65293824
N,N-diethyl-4,6-dimethyl-5-[2-methyl-3-(propan-2-ylamino)propyl]pyrimidin-2-amine
CID 65293634
N-[[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 115347182
N-[3-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]propyl]-2-methylpropan-1-amine
CID 115347169
3-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N,2-dimethylpropan-1-amine
CID 79412388
N-[2-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine
CID 115347172
3-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 80631067
3-[3,5-dimethyl-1-(3-methylbutyl)pyrazol-4-yl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 79225074
N-tert-butyl-3-[4,6-dimethyl-2-(2-methylpropyl)pyrimidin-5-yl]-2-methylpropan-1-amine
CID 65293875

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).