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

C13H19N5O — CID 115266208

IUPAC2-[methyl-[6-[methyl(oxan-4-yl)amino]pyrimidin-4-yl]amino]acetonitrile
SMILESCN(CC#N)c1cc(N(C)C2CCOCC2)ncn1
InChIInChI=1S/C13H19N5O/c1-17(6-5-14)12-9-13(16-10-15-12)18(2)11-3-7-19-8-4-11/h9-11H,3-4,6-8H2,1-2H3
InChIKeyJPKMYHNYAJTJIH-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.05
Rot. Bonds4

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

2-[methyl-[6-[methyl(oxan-4-yl)amino]pyrimidin-4-yl]amino]acetonitrile (PubChem CID 115266208) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-[methyl-[6-[methyl(oxan-4-yl)amino]pyrimidin-4-yl]amino]acetonitrile.

Molecular Properties

Compound Name2-[methyl-[6-[methyl(oxan-4-yl)amino]pyrimidin-4-yl]amino]acetonitrile
PubChem CID115266208
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-[methyl-[6-[methyl(oxan-4-yl)amino]pyrimidin-4-yl]amino]acetonitrile
SMILESCN(CC#N)c1cc(N(C)C2CCOCC2)ncn1
InChIInChI=1S/C13H19N5O/c1-17(6-5-14)12-9-13(16-10-15-12)18(2)11-3-7-19-8-4-11/h9-11H,3-4,6-8H2,1-2H3
InChIKeyJPKMYHNYAJTJIH-UHFFFAOYSA-N
XLogP1.05
TPSA65.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]-methylamino]acetonitrile
CID 115266206
6-chloro-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine
CID 61279787
2-[methyl-[6-[methyl(pyridin-4-yl)amino]pyrimidin-4-yl]amino]acetonitrile
CID 115266204
2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile
CID 115264844
[6-[methyl(oxan-4-ylmethyl)amino]pyrimidin-4-yl]cyanamide
CID 115264692
N-cyclopropyl-6-ethyl-N-methylpyrimidin-4-amine
CID 131155760
4-N,6-N-dimethyl-4-N,6-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-4,6-diamine
CID 99703962
N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-ethyl-N-methylpyrimidin-4-amine
CID 79119446
2-methyl-6-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile
CID 115143283
3-amino-6-[methyl(oxan-4-yl)amino]pyridine-2-carbonitrile
CID 103467674
5-bromo-N,4-dimethyl-N-(oxan-4-yl)pyridin-2-amine
CID 115774207
4-N,6-N-dimethyl-4-N-[2-(oxan-4-yl)ethyl]pyrimidine-4,6-diamine
CID 115265595

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[6-[methyl(oxan-4-yl)amino]pyrimidin-4-yl]amino]acetonitrile?
The IUPAC name of 2-[methyl-[6-[methyl(oxan-4-yl)amino]pyrimidin-4-yl]amino]acetonitrile (CID 115266208) is 2-[methyl-[6-[methyl(oxan-4-yl)amino]pyrimidin-4-yl]amino]acetonitrile.
What is the SMILES notation for 2-[methyl-[6-[methyl(oxan-4-yl)amino]pyrimidin-4-yl]amino]acetonitrile?
The canonical SMILES for 2-[methyl-[6-[methyl(oxan-4-yl)amino]pyrimidin-4-yl]amino]acetonitrile is CN(CC#N)c1cc(N(C)C2CCOCC2)ncn1.
What is the InChIKey of 2-[methyl-[6-[methyl(oxan-4-yl)amino]pyrimidin-4-yl]amino]acetonitrile?
The InChIKey is JPKMYHNYAJTJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-17(6-5-14)12-9-13(16-10-15-12)18(2)11-3-7-19-8-4-11/h9-11H,3-4,6-8H2,1-2H3.
What are the key properties of 2-[methyl-[6-[methyl(oxan-4-yl)amino]pyrimidin-4-yl]amino]acetonitrile?
2-[methyl-[6-[methyl(oxan-4-yl)amino]pyrimidin-4-yl]amino]acetonitrile has a molecular weight of 261.33 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[6-[methyl(oxan-4-yl)amino]pyrimidin-4-yl]amino]acetonitrile is sourced from PubChem (CID 115266208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).