2-[2-ethoxyethyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile

C12H18N4O — CID 107544526

IUPAC2-[2-ethoxyethyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile
SMILESCCOCCN(CC)c1nc(C)cc(C#N)n1
InChIInChI=1S/C12H18N4O/c1-4-16(6-7-17-5-2)12-14-10(3)8-11(9-13)15-12/h8H,4-7H2,1-3H3
InChIKeyYCJCIDOJZVXCAQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.52
Rot. Bonds6

About 2-[2-ethoxyethyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile

2-[2-ethoxyethyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile (PubChem CID 107544526) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[2-ethoxyethyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-ethoxyethyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile
PubChem CID107544526
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-[2-ethoxyethyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile
SMILESCCOCCN(CC)c1nc(C)cc(C#N)n1
InChIInChI=1S/C12H18N4O/c1-4-16(6-7-17-5-2)12-14-10(3)8-11(9-13)15-12/h8H,4-7H2,1-3H3
InChIKeyYCJCIDOJZVXCAQ-UHFFFAOYSA-N
XLogP1.52
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl(2-methoxyethyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543890
ethyl 2-[(4-cyano-6-methylpyrimidin-2-yl)-ethylamino]acetate
CID 107544090
[2-[2-ethoxyethyl(ethyl)amino]-6-methylpyrimidin-4-yl]methanol
CID 114219900
2-[ethyl(prop-2-enyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107544983
2-[(3-aminophenyl)methyl-ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 107552824
2-[ethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543609
2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4,6-triamine
CID 80833994
6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
CID 63692736
6-methyl-2-[piperidin-4-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile
CID 107552637
2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543618
2-[cyclopentyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543687
N-(2-ethoxyethyl)-N-ethyl-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80909371

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxyethyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-[2-ethoxyethyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile (CID 107544526) is 2-[2-ethoxyethyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[2-ethoxyethyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-[2-ethoxyethyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile is CCOCCN(CC)c1nc(C)cc(C#N)n1.
What is the InChIKey of 2-[2-ethoxyethyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile?
The InChIKey is YCJCIDOJZVXCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-4-16(6-7-17-5-2)12-14-10(3)8-11(9-13)15-12/h8H,4-7H2,1-3H3.
What are the key properties of 2-[2-ethoxyethyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile?
2-[2-ethoxyethyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile has a molecular weight of 234.30 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxyethyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107544526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).