2-[2-(2-hydroxyethyl)pentylamino]-6-methylpyrimidine-4-carbonitrile

C13H20N4O — CID 106115688

IUPAC2-[2-(2-hydroxyethyl)pentylamino]-6-methylpyrimidine-4-carbonitrile
SMILESCCCC(CCO)CNc1nc(C)cc(C#N)n1
InChIInChI=1S/C13H20N4O/c1-3-4-11(5-6-18)9-15-13-16-10(2)7-12(8-14)17-13/h7,11,18H,3-6,9H2,1-2H3,(H,15,16,17)
InChIKeyXRJRIXJTBYRWKJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.87
Rot. Bonds7

About 2-[2-(2-hydroxyethyl)pentylamino]-6-methylpyrimidine-4-carbonitrile

2-[2-(2-hydroxyethyl)pentylamino]-6-methylpyrimidine-4-carbonitrile (PubChem CID 106115688) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethyl)pentylamino]-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(2-hydroxyethyl)pentylamino]-6-methylpyrimidine-4-carbonitrile
PubChem CID106115688
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-[2-(2-hydroxyethyl)pentylamino]-6-methylpyrimidine-4-carbonitrile
SMILESCCCC(CCO)CNc1nc(C)cc(C#N)n1
InChIInChI=1S/C13H20N4O/c1-3-4-11(5-6-18)9-15-13-16-10(2)7-12(8-14)17-13/h7,11,18H,3-6,9H2,1-2H3,(H,15,16,17)
InChIKeyXRJRIXJTBYRWKJ-UHFFFAOYSA-N
XLogP1.87
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(4-methylpyrimidin-2-yl)amino]methyl]hexan-1-ol
CID 103705117
2-(3-hydroxypentylamino)-6-methylpyrimidine-4-carbonitrile
CID 107545273
3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]hexan-1-ol
CID 106115742
2-(hexan-3-ylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544278
2-(hexylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544597
2-(2-cyclopropylpropylamino)-6-methylpyrimidine-4-carbonitrile
CID 107545210
3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-methoxypropanoic acid
CID 106108557
3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]hexan-1-ol
CID 104924549
6-methyl-2-(2-methylbutan-2-ylamino)pyrimidine-4-carbonitrile
CID 107543261
2-(2,2-dimethylheptylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544876
2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-N-(2-methylpropyl)acetamide
CID 107545107
2-[3-(hydroxymethyl)pentan-3-ylamino]-6-methylpyrimidine-4-carbonitrile
CID 107552017

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethyl)pentylamino]-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-[2-(2-hydroxyethyl)pentylamino]-6-methylpyrimidine-4-carbonitrile (CID 106115688) is 2-[2-(2-hydroxyethyl)pentylamino]-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[2-(2-hydroxyethyl)pentylamino]-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-[2-(2-hydroxyethyl)pentylamino]-6-methylpyrimidine-4-carbonitrile is CCCC(CCO)CNc1nc(C)cc(C#N)n1.
What is the InChIKey of 2-[2-(2-hydroxyethyl)pentylamino]-6-methylpyrimidine-4-carbonitrile?
The InChIKey is XRJRIXJTBYRWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-3-4-11(5-6-18)9-15-13-16-10(2)7-12(8-14)17-13/h7,11,18H,3-6,9H2,1-2H3,(H,15,16,17).
What are the key properties of 2-[2-(2-hydroxyethyl)pentylamino]-6-methylpyrimidine-4-carbonitrile?
2-[2-(2-hydroxyethyl)pentylamino]-6-methylpyrimidine-4-carbonitrile has a molecular weight of 248.33 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethyl)pentylamino]-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 106115688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).