2-[cyclobutylmethyl(methyl)amino]pyrimidine-4-carbonitrile

C11H14N4 — CID 107544379

IUPAC2-[cyclobutylmethyl(methyl)amino]pyrimidine-4-carbonitrile
SMILESCN(CC1CCC1)c1nccc(C#N)n1
InChIInChI=1S/C11H14N4/c1-15(8-9-3-2-4-9)11-13-6-5-10(7-12)14-11/h5-6,9H,2-4,8H2,1H3
InChIKeyWMJZPEOMROUEDI-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.58
Rot. Bonds3

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

2-[cyclobutylmethyl(methyl)amino]pyrimidine-4-carbonitrile (PubChem CID 107544379) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-[cyclobutylmethyl(methyl)amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[cyclobutylmethyl(methyl)amino]pyrimidine-4-carbonitrile
PubChem CID107544379
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name2-[cyclobutylmethyl(methyl)amino]pyrimidine-4-carbonitrile
SMILESCN(CC1CCC1)c1nccc(C#N)n1
InChIInChI=1S/C11H14N4/c1-15(8-9-3-2-4-9)11-13-6-5-10(7-12)14-11/h5-6,9H,2-4,8H2,1H3
InChIKeyWMJZPEOMROUEDI-UHFFFAOYSA-N
XLogP1.58
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile
CID 107543783
2-[methyl(prop-2-enyl)amino]pyrimidine-4-carbonitrile
CID 107544982
N-(cyclohexylmethyl)-4-methoxy-N-methylpyrimidin-2-amine
CID 112813486
2-[ethyl(piperidin-3-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 107552798
2-[piperidin-3-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile
CID 107552802
2-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile
CID 107543747
3-[cyclohexylmethyl(methyl)amino]pyrazine-2-carbonitrile
CID 62685039
6-methyl-2-[methyl(piperidin-4-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 107552634
2-[propyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 107552774
4-[methyl(piperidin-4-ylmethyl)amino]pyridine-2-carbonitrile;hydrochloride
CID 69426314
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-2-carbonitrile
CID 63234581
2-[2-[cyclopentyl(methyl)amino]ethylamino]pyrimidine-4-carbonitrile
CID 107544497

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutylmethyl(methyl)amino]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[cyclobutylmethyl(methyl)amino]pyrimidine-4-carbonitrile (CID 107544379) is 2-[cyclobutylmethyl(methyl)amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[cyclobutylmethyl(methyl)amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[cyclobutylmethyl(methyl)amino]pyrimidine-4-carbonitrile is CN(CC1CCC1)c1nccc(C#N)n1.
What is the InChIKey of 2-[cyclobutylmethyl(methyl)amino]pyrimidine-4-carbonitrile?
The InChIKey is WMJZPEOMROUEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-15(8-9-3-2-4-9)11-13-6-5-10(7-12)14-11/h5-6,9H,2-4,8H2,1H3.
What are the key properties of 2-[cyclobutylmethyl(methyl)amino]pyrimidine-4-carbonitrile?
2-[cyclobutylmethyl(methyl)amino]pyrimidine-4-carbonitrile has a molecular weight of 202.26 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutylmethyl(methyl)amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107544379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).