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

C11H16N4O — CID 107543890

IUPAC2-[ethyl(2-methoxyethyl)amino]-6-methylpyrimidine-4-carbonitrile
SMILESCCN(CCOC)c1nc(C)cc(C#N)n1
InChIInChI=1S/C11H16N4O/c1-4-15(5-6-16-3)11-13-9(2)7-10(8-12)14-11/h7H,4-6H2,1-3H3
InChIKeyFLZFWCKOMNDNOY-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.13
Rot. Bonds5

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

2-[ethyl(2-methoxyethyl)amino]-6-methylpyrimidine-4-carbonitrile (PubChem CID 107543890) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-[ethyl(2-methoxyethyl)amino]-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[ethyl(2-methoxyethyl)amino]-6-methylpyrimidine-4-carbonitrile
PubChem CID107543890
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-[ethyl(2-methoxyethyl)amino]-6-methylpyrimidine-4-carbonitrile
SMILESCCN(CCOC)c1nc(C)cc(C#N)n1
InChIInChI=1S/C11H16N4O/c1-4-15(5-6-16-3)11-13-9(2)7-10(8-12)14-11/h7H,4-6H2,1-3H3
InChIKeyFLZFWCKOMNDNOY-UHFFFAOYSA-N
XLogP1.13
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-ethoxyethyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107544526
2-[ethyl(prop-2-enyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107544983
ethyl 2-[(4-cyano-6-methylpyrimidin-2-yl)-ethylamino]acetate
CID 107544090
2-[(3-aminophenyl)methyl-ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 107552824
2-[bis(2-methoxyethyl)amino]pyrimidine-4-carbonitrile
CID 107543844
2-[ethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543609
5-[ethyl(2-methoxyethyl)amino]pyridine-2-carbonitrile
CID 79838651
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
2-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]ethanol
CID 61147655
2-(3-methoxypropylamino)-6-methylpyrimidine-4-carbonitrile
CID 110383439

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-methoxyethyl)amino]-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-[ethyl(2-methoxyethyl)amino]-6-methylpyrimidine-4-carbonitrile (CID 107543890) is 2-[ethyl(2-methoxyethyl)amino]-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[ethyl(2-methoxyethyl)amino]-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-[ethyl(2-methoxyethyl)amino]-6-methylpyrimidine-4-carbonitrile is CCN(CCOC)c1nc(C)cc(C#N)n1.
What is the InChIKey of 2-[ethyl(2-methoxyethyl)amino]-6-methylpyrimidine-4-carbonitrile?
The InChIKey is FLZFWCKOMNDNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-4-15(5-6-16-3)11-13-9(2)7-10(8-12)14-11/h7H,4-6H2,1-3H3.
What are the key properties of 2-[ethyl(2-methoxyethyl)amino]-6-methylpyrimidine-4-carbonitrile?
2-[ethyl(2-methoxyethyl)amino]-6-methylpyrimidine-4-carbonitrile has a molecular weight of 220.28 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-methoxyethyl)amino]-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107543890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).