1-[2-[2-(dimethylamino)ethyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine

C13H24N4 — CID 113291435

IUPAC1-[2-[2-(dimethylamino)ethyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1cnc(CCN(C)C)nc1C
InChIInChI=1S/C13H24N4/c1-6-14-10(2)12-9-15-13(16-11(12)3)7-8-17(4)5/h9-10,14H,6-8H2,1-5H3
InChIKeyMXTXBZQJYNECMU-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.56
Rot. Bonds6

About 1-[2-[2-(dimethylamino)ethyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine

1-[2-[2-(dimethylamino)ethyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine (PubChem CID 113291435) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[2-[2-(dimethylamino)ethyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-[2-(dimethylamino)ethyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine
PubChem CID113291435
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-[2-[2-(dimethylamino)ethyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1cnc(CCN(C)C)nc1C
InChIInChI=1S/C13H24N4/c1-6-14-10(2)12-9-15-13(16-11(12)3)7-8-17(4)5/h9-10,14H,6-8H2,1-5H3
InChIKeyMXTXBZQJYNECMU-UHFFFAOYSA-N
XLogP1.56
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[1-(ethylamino)ethyl]-4-methylpyrimidin-2-yl]acetamide
CID 62770494
N-ethyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine
CID 62770321
1-[2-[(3-bromophenyl)methyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine
CID 62771903
N-ethyl-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine
CID 62771730
1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine
CID 66153717
N-ethyl-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanamine
CID 103987982
(1S)-1-[2-[2-(diethylamino)ethyl]-4-methylpyrimidin-5-yl]ethanol
CID 103431515
N,N,4-trimethyl-5-[1-(propylamino)ethyl]pyrimidin-2-amine
CID 62770147
N-[[2-[2-(dimethylamino)ethyl]pyrimidin-5-yl]methyl]propan-2-amine
CID 115347141
N-ethyl-1-[4-methyl-2-(2-phenylpropan-2-yl)pyrimidin-5-yl]ethanamine
CID 63086419
1-[2-(2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 63891756
N-ethyl-1-[4-methyl-2-(3-methylcyclopentyl)pyrimidin-5-yl]ethanamine
CID 65414648

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(dimethylamino)ethyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine?
The IUPAC name of 1-[2-[2-(dimethylamino)ethyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine (CID 113291435) is 1-[2-[2-(dimethylamino)ethyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-[2-(dimethylamino)ethyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine?
The canonical SMILES for 1-[2-[2-(dimethylamino)ethyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine is CCNC(C)c1cnc(CCN(C)C)nc1C.
What is the InChIKey of 1-[2-[2-(dimethylamino)ethyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine?
The InChIKey is MXTXBZQJYNECMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-6-14-10(2)12-9-15-13(16-11(12)3)7-8-17(4)5/h9-10,14H,6-8H2,1-5H3.
What are the key properties of 1-[2-[2-(dimethylamino)ethyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine?
1-[2-[2-(dimethylamino)ethyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine has a molecular weight of 236.36 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(dimethylamino)ethyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine is sourced from PubChem (CID 113291435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).