2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile

C11H15N5 — CID 115264844

IUPAC2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile
SMILESCN(c1cc(NCC#N)ncn1)C1CCC1
InChIInChI=1S/C11H15N5/c1-16(9-3-2-4-9)11-7-10(13-6-5-12)14-8-15-11/h7-9H,2-4,6H2,1H3,(H,13,14,15)
InChIKeyJGYDPHHJNLDEIU-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.40
Rot. Bonds4

About 2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile

2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile (PubChem CID 115264844) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile.

Molecular Properties

Compound Name2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile
PubChem CID115264844
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile
SMILESCN(c1cc(NCC#N)ncn1)C1CCC1
InChIInChI=1S/C11H15N5/c1-16(9-3-2-4-9)11-7-10(13-6-5-12)14-8-15-11/h7-9H,2-4,6H2,1H3,(H,13,14,15)
InChIKeyJGYDPHHJNLDEIU-UHFFFAOYSA-N
XLogP1.40
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-[[6-[cyclopentylmethyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile
CID 115264894
4-N-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80774806
methyl 2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetate
CID 115264956
2-[[6-[cyclohexyl(methyl)amino]pyrimidin-4-yl]amino]ethanethiol
CID 115264417
methyl 2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]amino]acetate
CID 115264955
2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]-methylamino]acetonitrile
CID 115266206
4-N-cyclobutyl-4-N-methyl-6-N-[2-methyl-1-(methylamino)propan-2-yl]pyrimidine-4,6-diamine
CID 115264462
4-N-cyclopropyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80775441
2-[[6-[methyl(pyridin-4-yl)amino]pyrimidin-4-yl]amino]acetonitrile
CID 115264833
4-N-methyl-4-N-(4-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine
CID 80799819
6-N-ethyl-4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-4,6-diamine
CID 80832211
2-[[6-(2-cyclohexylethylamino)pyrimidin-4-yl]amino]acetonitrile
CID 115264917

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile?
The IUPAC name of 2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile (CID 115264844) is 2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile.
What is the SMILES notation for 2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile?
The canonical SMILES for 2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile is CN(c1cc(NCC#N)ncn1)C1CCC1.
What is the InChIKey of 2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile?
The InChIKey is JGYDPHHJNLDEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-16(9-3-2-4-9)11-7-10(13-6-5-12)14-8-15-11/h7-9H,2-4,6H2,1H3,(H,13,14,15).
What are the key properties of 2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile?
2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile has a molecular weight of 217.28 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile is sourced from PubChem (CID 115264844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).