4-amino-6-methyl-2-(2-methyloxolan-2-yl)pyrimidine-5-carbonitrile

C11H14N4O — CID 116647144

IUPAC4-amino-6-methyl-2-(2-methyloxolan-2-yl)pyrimidine-5-carbonitrile
SMILESCc1nc(C2(C)CCCO2)nc(N)c1C#N
InChIInChI=1S/C11H14N4O/c1-7-8(6-12)9(13)15-10(14-7)11(2)4-3-5-16-11/h3-5H2,1-2H3,(H2,13,14,15)
InChIKeyYYVDGSJSXLTVQN-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.26
Rot. Bonds1

About 4-amino-6-methyl-2-(2-methyloxolan-2-yl)pyrimidine-5-carbonitrile

4-amino-6-methyl-2-(2-methyloxolan-2-yl)pyrimidine-5-carbonitrile (PubChem CID 116647144) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-amino-6-methyl-2-(2-methyloxolan-2-yl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-methyl-2-(2-methyloxolan-2-yl)pyrimidine-5-carbonitrile
PubChem CID116647144
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name4-amino-6-methyl-2-(2-methyloxolan-2-yl)pyrimidine-5-carbonitrile
SMILESCc1nc(C2(C)CCCO2)nc(N)c1C#N
InChIInChI=1S/C11H14N4O/c1-7-8(6-12)9(13)15-10(14-7)11(2)4-3-5-16-11/h3-5H2,1-2H3,(H2,13,14,15)
InChIKeyYYVDGSJSXLTVQN-UHFFFAOYSA-N
XLogP1.26
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-2-(2-methyloxolan-2-yl)pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-methyl-2-(2-methyloxolan-2-yl)pyrimidine-5-carbonitrile (CID 116647144) is 4-amino-6-methyl-2-(2-methyloxolan-2-yl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-methyl-2-(2-methyloxolan-2-yl)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-methyl-2-(2-methyloxolan-2-yl)pyrimidine-5-carbonitrile is Cc1nc(C2(C)CCCO2)nc(N)c1C#N.
What is the InChIKey of 4-amino-6-methyl-2-(2-methyloxolan-2-yl)pyrimidine-5-carbonitrile?
The InChIKey is YYVDGSJSXLTVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-7-8(6-12)9(13)15-10(14-7)11(2)4-3-5-16-11/h3-5H2,1-2H3,(H2,13,14,15).
What are the key properties of 4-amino-6-methyl-2-(2-methyloxolan-2-yl)pyrimidine-5-carbonitrile?
4-amino-6-methyl-2-(2-methyloxolan-2-yl)pyrimidine-5-carbonitrile has a molecular weight of 218.26 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-2-(2-methyloxolan-2-yl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 116647144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).