2-methyl-6-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile

C12H16N4O — CID 115143283

IUPAC2-methyl-6-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile
SMILESCc1nc(C#N)cc(N(C)C2CCOCC2)n1
InChIInChI=1S/C12H16N4O/c1-9-14-10(8-13)7-12(15-9)16(2)11-3-5-17-6-4-11/h7,11H,3-6H2,1-2H3
InChIKeyBDAQVFPVDBJKBT-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.27
Rot. Bonds2

About 2-methyl-6-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile

2-methyl-6-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile (PubChem CID 115143283) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-methyl-6-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile
PubChem CID115143283
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-methyl-6-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile
SMILESCc1nc(C#N)cc(N(C)C2CCOCC2)n1
InChIInChI=1S/C12H16N4O/c1-9-14-10(8-13)7-12(15-9)16(2)11-3-5-17-6-4-11/h7,11H,3-6H2,1-2H3
InChIKeyBDAQVFPVDBJKBT-UHFFFAOYSA-N
XLogP1.27
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile?
The IUPAC name of 2-methyl-6-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile (CID 115143283) is 2-methyl-6-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-methyl-6-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-methyl-6-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile is Cc1nc(C#N)cc(N(C)C2CCOCC2)n1.
What is the InChIKey of 2-methyl-6-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile?
The InChIKey is BDAQVFPVDBJKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9-14-10(8-13)7-12(15-9)16(2)11-3-5-17-6-4-11/h7,11H,3-6H2,1-2H3.
What are the key properties of 2-methyl-6-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile?
2-methyl-6-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile has a molecular weight of 232.29 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 115143283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).