2-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile

C11H14N4O — CID 107543747

IUPAC2-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile
SMILESCN(c1nccc(C#N)n1)C1CCOCC1
InChIInChI=1S/C11H14N4O/c1-15(10-3-6-16-7-4-10)11-13-5-2-9(8-12)14-11/h2,5,10H,3-4,6-7H2,1H3
InChIKeyNMYUZHPABWTBSQ-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.96
Rot. Bonds2

About 2-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile

2-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile (PubChem CID 107543747) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile
PubChem CID107543747
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile
SMILESCN(c1nccc(C#N)n1)C1CCOCC1
InChIInChI=1S/C11H14N4O/c1-15(10-3-6-16-7-4-10)11-13-5-2-9(8-12)14-11/h2,5,10H,3-4,6-7H2,1H3
InChIKeyNMYUZHPABWTBSQ-UHFFFAOYSA-N
XLogP0.96
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyrimidine-4-carbonitrile
CID 107552427
6-[methyl(oxan-4-yl)amino]pyridine-2-carbonitrile
CID 64594895
2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyrimidine-4-carbonitrile
CID 171995820
4-(aminomethyl)-N-methyl-N-(oxolan-3-yl)pyrimidin-2-amine
CID 107542184
2-methyl-6-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile
CID 115143283
2-[cyclobutylmethyl(methyl)amino]pyrimidine-4-carbonitrile
CID 107544379
4-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carbonitrile
CID 115384913
3-amino-6-[methyl(oxan-4-yl)amino]pyridine-2-carbonitrile
CID 103467674
N,4-dimethyl-5-(methylaminomethyl)-N-(oxan-4-yl)pyrimidin-2-amine
CID 83185622
N-methyl-2-methylsulfanyl-N-(oxan-4-yl)pyrimidin-4-amine
CID 175652021
4-[cyclohexyl(methyl)amino]pyridine-2-carbonitrile
CID 62491803
2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyrimidine-4-carbonitrile
CID 107552429

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile (CID 107543747) is 2-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile is CN(c1nccc(C#N)n1)C1CCOCC1.
What is the InChIKey of 2-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile?
The InChIKey is NMYUZHPABWTBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-15(10-3-6-16-7-4-10)11-13-5-2-9(8-12)14-11/h2,5,10H,3-4,6-7H2,1H3.
What are the key properties of 2-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile?
2-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile has a molecular weight of 218.26 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107543747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).