2-[2-methoxyethyl(pentan-3-yl)amino]pyrimidine-4-carbonitrile

C13H20N4O — CID 107544106

IUPAC2-[2-methoxyethyl(pentan-3-yl)amino]pyrimidine-4-carbonitrile
SMILESCCC(CC)N(CCOC)c1nccc(C#N)n1
InChIInChI=1S/C13H20N4O/c1-4-12(5-2)17(8-9-18-3)13-15-7-6-11(10-14)16-13/h6-7,12H,4-5,8-9H2,1-3H3
InChIKeyDZGGOXMRCCRTOV-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.99
Rot. Bonds7

About 2-[2-methoxyethyl(pentan-3-yl)amino]pyrimidine-4-carbonitrile

2-[2-methoxyethyl(pentan-3-yl)amino]pyrimidine-4-carbonitrile (PubChem CID 107544106) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[2-methoxyethyl(pentan-3-yl)amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-methoxyethyl(pentan-3-yl)amino]pyrimidine-4-carbonitrile
PubChem CID107544106
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-[2-methoxyethyl(pentan-3-yl)amino]pyrimidine-4-carbonitrile
SMILESCCC(CC)N(CCOC)c1nccc(C#N)n1
InChIInChI=1S/C13H20N4O/c1-4-12(5-2)17(8-9-18-3)13-15-7-6-11(10-14)16-13/h6-7,12H,4-5,8-9H2,1-3H3
InChIKeyDZGGOXMRCCRTOV-UHFFFAOYSA-N
XLogP1.99
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[bis(2-methoxyethyl)amino]pyrimidine-4-carbonitrile
CID 107543844
3-[2-methoxyethyl(pentan-3-yl)amino]pyridazine-4-carbonitrile
CID 80510588
4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-2-carbonitrile
CID 55156482
2-hydrazinyl-N-(2-methoxyethyl)-N-pentan-3-ylpyrimidin-4-amine
CID 80900777
methyl 2-[(4-cyanopyrimidin-2-yl)-propan-2-ylamino]acetate
CID 107544124
N-(2-methoxyethyl)-4-(methylaminomethyl)-N-pentan-3-ylpyridin-2-amine
CID 62288159
2-[2-(4-methoxyphenyl)ethyl-methylamino]pyrimidine-4-carbonitrile
CID 163348210
2-bromo-6-[2-methoxyethyl(pentan-3-yl)amino]benzonitrile
CID 114880843
2-bromo-4-[2-methoxyethyl(pentan-3-yl)amino]benzonitrile
CID 107276165
[6-[2-methoxyethyl(pentan-3-yl)amino]pyrazin-2-yl]methanol
CID 66466606
methyl 2-[(4-cyanopyrimidin-2-yl)-propylamino]acetate
CID 107544126
2-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile
CID 107543783

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(pentan-3-yl)amino]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[2-methoxyethyl(pentan-3-yl)amino]pyrimidine-4-carbonitrile (CID 107544106) is 2-[2-methoxyethyl(pentan-3-yl)amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[2-methoxyethyl(pentan-3-yl)amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[2-methoxyethyl(pentan-3-yl)amino]pyrimidine-4-carbonitrile is CCC(CC)N(CCOC)c1nccc(C#N)n1.
What is the InChIKey of 2-[2-methoxyethyl(pentan-3-yl)amino]pyrimidine-4-carbonitrile?
The InChIKey is DZGGOXMRCCRTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-4-12(5-2)17(8-9-18-3)13-15-7-6-11(10-14)16-13/h6-7,12H,4-5,8-9H2,1-3H3.
What are the key properties of 2-[2-methoxyethyl(pentan-3-yl)amino]pyrimidine-4-carbonitrile?
2-[2-methoxyethyl(pentan-3-yl)amino]pyrimidine-4-carbonitrile has a molecular weight of 248.33 g/mol, XLogP of 1.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(pentan-3-yl)amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107544106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).