ethane;N-ethyl-2-(4-methyl-1,4-dihydropyrimidin-5-yl)ethanamine

C11H23N3 — CID 143866599

IUPACethane;N-ethyl-2-(4-methyl-1,4-dihydropyrimidin-5-yl)ethanamine
SMILESCC.CCNCCC1=CNC=NC1C
InChIInChI=1S/C9H17N3.C2H6/c1-3-10-5-4-9-6-11-7-12-8(9)2;1-2/h6-8,10H,3-5H2,1-2H3,(H,11,12);1-2H3
InChIKeyWJGJDGPVEGSLLI-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.92
Rot. Bonds4

About ethane;N-ethyl-2-(4-methyl-1,4-dihydropyrimidin-5-yl)ethanamine

ethane;N-ethyl-2-(4-methyl-1,4-dihydropyrimidin-5-yl)ethanamine (PubChem CID 143866599) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is ethane;N-ethyl-2-(4-methyl-1,4-dihydropyrimidin-5-yl)ethanamine.

Molecular Properties

Compound Nameethane;N-ethyl-2-(4-methyl-1,4-dihydropyrimidin-5-yl)ethanamine
PubChem CID143866599
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Nameethane;N-ethyl-2-(4-methyl-1,4-dihydropyrimidin-5-yl)ethanamine
SMILESCC.CCNCCC1=CNC=NC1C
InChIInChI=1S/C9H17N3.C2H6/c1-3-10-5-4-9-6-11-7-12-8(9)2;1-2/h6-8,10H,3-5H2,1-2H3,(H,11,12);1-2H3
InChIKeyWJGJDGPVEGSLLI-UHFFFAOYSA-N
XLogP1.92
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Pyrimidine, 4-butyl-3,4-dihydro-5-methyl-
CID 565550
5,6,7,8,9,9a-hexahydro-3H-pyrimido[4,5-d]azepine
CID 67370131
2,5-Diethyl-4-methyl-1,4-dihydropyrimidine
CID 89750389
5-Ethyl-4-methyl-1,4-dihydropyrimidine
CID 89750434
N'-[(E)-4-(ethylamino)-3-methylbut-3-en-2-yl]methanimidamide
CID 90452795
N'-[(E)-4-[[(2S,4S)-4-(dimethylamino)pentan-2-yl]amino]-3-methylbut-3-en-2-yl]methanimidamide
CID 118973327
N'-[(E)-2-methyl-1-[4-(methylamino)butan-2-ylamino]hex-1-en-3-yl]methanimidamide
CID 118973415
N'-methyl-N-[2-[(propan-2-ylamino)methyl]but-1-enyl]ethanimidamide
CID 123670315
N'-[(E)-2-methyl-3-(propan-2-ylamino)prop-1-enyl]methanimidamide
CID 130216393
4,5-Diethyl-1,4-dihydropyrimidine
CID 137444866
Ethane;5-ethyl-4-methyl-1,4-dihydropyrimidine
CID 145622453
Ethane;5-ethyl-2,4-dimethyl-1,4-dihydropyrimidine
CID 145622465

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-2-(4-methyl-1,4-dihydropyrimidin-5-yl)ethanamine?
The IUPAC name of ethane;N-ethyl-2-(4-methyl-1,4-dihydropyrimidin-5-yl)ethanamine (CID 143866599) is ethane;N-ethyl-2-(4-methyl-1,4-dihydropyrimidin-5-yl)ethanamine.
What is the SMILES notation for ethane;N-ethyl-2-(4-methyl-1,4-dihydropyrimidin-5-yl)ethanamine?
The canonical SMILES for ethane;N-ethyl-2-(4-methyl-1,4-dihydropyrimidin-5-yl)ethanamine is CC.CCNCCC1=CNC=NC1C.
What is the InChIKey of ethane;N-ethyl-2-(4-methyl-1,4-dihydropyrimidin-5-yl)ethanamine?
The InChIKey is WJGJDGPVEGSLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3.C2H6/c1-3-10-5-4-9-6-11-7-12-8(9)2;1-2/h6-8,10H,3-5H2,1-2H3,(H,11,12);1-2H3.
What are the key properties of ethane;N-ethyl-2-(4-methyl-1,4-dihydropyrimidin-5-yl)ethanamine?
ethane;N-ethyl-2-(4-methyl-1,4-dihydropyrimidin-5-yl)ethanamine has a molecular weight of 197.33 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-2-(4-methyl-1,4-dihydropyrimidin-5-yl)ethanamine is sourced from PubChem (CID 143866599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).