6-methyl-2-[(3-methyloxolan-3-yl)amino]pyrimidine-4-carbonitrile

C11H14N4O — CID 107545238

IUPAC6-methyl-2-[(3-methyloxolan-3-yl)amino]pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NC2(C)CCOC2)n1
InChIInChI=1S/C11H14N4O/c1-8-5-9(6-12)14-10(13-8)15-11(2)3-4-16-7-11/h5H,3-4,7H2,1-2H3,(H,13,14,15)
InChIKeyJLDURPYNQOLAQR-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.25
Rot. Bonds2

About 6-methyl-2-[(3-methyloxolan-3-yl)amino]pyrimidine-4-carbonitrile

6-methyl-2-[(3-methyloxolan-3-yl)amino]pyrimidine-4-carbonitrile (PubChem CID 107545238) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 6-methyl-2-[(3-methyloxolan-3-yl)amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-[(3-methyloxolan-3-yl)amino]pyrimidine-4-carbonitrile
PubChem CID107545238
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name6-methyl-2-[(3-methyloxolan-3-yl)amino]pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NC2(C)CCOC2)n1
InChIInChI=1S/C11H14N4O/c1-8-5-9(6-12)14-10(13-8)15-11(2)3-4-16-7-11/h5H,3-4,7H2,1-2H3,(H,13,14,15)
InChIKeyJLDURPYNQOLAQR-UHFFFAOYSA-N
XLogP1.25
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(3-methyloxolan-3-yl)amino]pyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-2-[(3-methyloxolan-3-yl)amino]pyrimidine-4-carbonitrile (CID 107545238) is 6-methyl-2-[(3-methyloxolan-3-yl)amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2-[(3-methyloxolan-3-yl)amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-2-[(3-methyloxolan-3-yl)amino]pyrimidine-4-carbonitrile is Cc1cc(C#N)nc(NC2(C)CCOC2)n1.
What is the InChIKey of 6-methyl-2-[(3-methyloxolan-3-yl)amino]pyrimidine-4-carbonitrile?
The InChIKey is JLDURPYNQOLAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8-5-9(6-12)14-10(13-8)15-11(2)3-4-16-7-11/h5H,3-4,7H2,1-2H3,(H,13,14,15).
What are the key properties of 6-methyl-2-[(3-methyloxolan-3-yl)amino]pyrimidine-4-carbonitrile?
6-methyl-2-[(3-methyloxolan-3-yl)amino]pyrimidine-4-carbonitrile has a molecular weight of 218.26 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(3-methyloxolan-3-yl)amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107545238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).