6-methyl-2-(oxolan-3-yloxy)pyrimidine-4-carbonitrile

C10H11N3O2 — CID 107545937

IUPAC6-methyl-2-(oxolan-3-yloxy)pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(OC2CCOC2)n1
InChIInChI=1S/C10H11N3O2/c1-7-4-8(5-11)13-10(12-7)15-9-2-3-14-6-9/h4,9H,2-3,6H2,1H3
InChIKeyHZSSSCKROZOGIF-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.82
Rot. Bonds2

About 6-methyl-2-(oxolan-3-yloxy)pyrimidine-4-carbonitrile

6-methyl-2-(oxolan-3-yloxy)pyrimidine-4-carbonitrile (PubChem CID 107545937) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 6-methyl-2-(oxolan-3-yloxy)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-(oxolan-3-yloxy)pyrimidine-4-carbonitrile
PubChem CID107545937
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name6-methyl-2-(oxolan-3-yloxy)pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(OC2CCOC2)n1
InChIInChI=1S/C10H11N3O2/c1-7-4-8(5-11)13-10(12-7)15-9-2-3-14-6-9/h4,9H,2-3,6H2,1H3
InChIKeyHZSSSCKROZOGIF-UHFFFAOYSA-N
XLogP0.82
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-(oxolan-3-yloxy)pyrimidine-4-carbothioamide
CID 107548634
7-chloro-1-[(3R)-oxolan-3-yl]oxy-2,6-naphthyridine-3-carbonitrile
CID 168932186
2-(cyclopentylmethoxy)-6-methylpyrimidine-4-carbonitrile
CID 107545986
N-ethyl-4-methyl-6-(oxolan-3-yloxy)pyrimidin-2-amine
CID 80876812
N-[[4,6-dimethyl-2-(oxolan-3-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 63556322
3-(5-methyl-1,3-thiazol-2-yl)-5-[(3S)-oxolan-3-yl]oxybenzonitrile
CID 163203444
2-methyl-6-[(3S)-oxolan-3-yl]oxyquinazoline-7-carbonitrile
CID 175925122
4-(2-methyl-4-pyridinyl)-2-[(3S)-oxolan-3-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 118589209
N-methyl-1-[4-methyl-2-(oxolan-3-yloxy)pyrimidin-5-yl]methanamine
CID 83188779
2,6-dimethyl-4-(oxolan-3-yloxy)pyridine-3-carboxylic acid
CID 81052926
(3R)-3-(4-fluoro-3-methylphenoxy)oxolane
CID 170235553
(3R)-3-(4-bromo-3-methylphenoxy)oxolane
CID 138986690

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(oxolan-3-yloxy)pyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-2-(oxolan-3-yloxy)pyrimidine-4-carbonitrile (CID 107545937) is 6-methyl-2-(oxolan-3-yloxy)pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2-(oxolan-3-yloxy)pyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-2-(oxolan-3-yloxy)pyrimidine-4-carbonitrile is Cc1cc(C#N)nc(OC2CCOC2)n1.
What is the InChIKey of 6-methyl-2-(oxolan-3-yloxy)pyrimidine-4-carbonitrile?
The InChIKey is HZSSSCKROZOGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-7-4-8(5-11)13-10(12-7)15-9-2-3-14-6-9/h4,9H,2-3,6H2,1H3.
What are the key properties of 6-methyl-2-(oxolan-3-yloxy)pyrimidine-4-carbonitrile?
6-methyl-2-(oxolan-3-yloxy)pyrimidine-4-carbonitrile has a molecular weight of 205.22 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(oxolan-3-yloxy)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107545937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).