4-methyl-6-[[3-(oxolan-2-ylmethoxymethyl)phenyl]methylamino]pyrimidine-5-carbonitrile

C19H22N4O2 — CID 167843254

IUPAC4-methyl-6-[[3-(oxolan-2-ylmethoxymethyl)phenyl]methylamino]pyrimidine-5-carbonitrile
SMILESCc1ncnc(NCc2cccc(COCC3CCCO3)c2)c1C#N
InChIInChI=1S/C19H22N4O2/c1-14-18(9-20)19(23-13-22-14)21-10-15-4-2-5-16(8-15)11-24-12-17-6-3-7-25-17/h2,4-5,8,13,17H,3,6-7,10-12H2,1H3,(H,21,22,23)
InChIKeyXXCUYKOJMDNPIS-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.96
Rot. Bonds7

About 4-methyl-6-[[3-(oxolan-2-ylmethoxymethyl)phenyl]methylamino]pyrimidine-5-carbonitrile

4-methyl-6-[[3-(oxolan-2-ylmethoxymethyl)phenyl]methylamino]pyrimidine-5-carbonitrile (PubChem CID 167843254) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-methyl-6-[[3-(oxolan-2-ylmethoxymethyl)phenyl]methylamino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-methyl-6-[[3-(oxolan-2-ylmethoxymethyl)phenyl]methylamino]pyrimidine-5-carbonitrile
PubChem CID167843254
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name4-methyl-6-[[3-(oxolan-2-ylmethoxymethyl)phenyl]methylamino]pyrimidine-5-carbonitrile
SMILESCc1ncnc(NCc2cccc(COCC3CCCO3)c2)c1C#N
InChIInChI=1S/C19H22N4O2/c1-14-18(9-20)19(23-13-22-14)21-10-15-4-2-5-16(8-15)11-24-12-17-6-3-7-25-17/h2,4-5,8,13,17H,3,6-7,10-12H2,1H3,(H,21,22,23)
InChIKeyXXCUYKOJMDNPIS-UHFFFAOYSA-N
XLogP2.96
TPSA80.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[3-(oxan-2-ylmethoxymethyl)anilino]methyl]thiophene-3-carbonitrile
CID 75430382
2-[(3-fluorophenyl)methoxymethyl]oxolane
CID 91656930
4-(oxolan-2-ylmethoxymethyl)benzonitrile
CID 24707627
bis((3-fluorophenyl)methanol);(2S)-2-[(3-fluorophenyl)methoxymethyl]oxolane
CID 142540594
N-methyl-N'-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxamide
CID 96562652
4-methyl-N-[[3-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168617353
[3-(oxolan-2-ylmethoxymethyl)phenyl]methylidenehydrazine
CID 168529344
3-(oxolan-2-ylmethoxymethyl)pyridine-2-carbonitrile
CID 62920439
3-(oxan-2-ylmethoxymethyl)benzohydrazide
CID 55212613
N-[(3-methylphenyl)methyl]-1-[3-(oxolan-2-ylmethoxy)phenyl]methanamine
CID 54804154
2-(oxolan-2-ylmethoxymethyl)benzonitrile
CID 24702281
5-(oxolan-2-ylmethoxymethyl)-N-propylpyridin-2-amine
CID 62194442

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[[3-(oxolan-2-ylmethoxymethyl)phenyl]methylamino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-methyl-6-[[3-(oxolan-2-ylmethoxymethyl)phenyl]methylamino]pyrimidine-5-carbonitrile (CID 167843254) is 4-methyl-6-[[3-(oxolan-2-ylmethoxymethyl)phenyl]methylamino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-methyl-6-[[3-(oxolan-2-ylmethoxymethyl)phenyl]methylamino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-methyl-6-[[3-(oxolan-2-ylmethoxymethyl)phenyl]methylamino]pyrimidine-5-carbonitrile is Cc1ncnc(NCc2cccc(COCC3CCCO3)c2)c1C#N.
What is the InChIKey of 4-methyl-6-[[3-(oxolan-2-ylmethoxymethyl)phenyl]methylamino]pyrimidine-5-carbonitrile?
The InChIKey is XXCUYKOJMDNPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14-18(9-20)19(23-13-22-14)21-10-15-4-2-5-16(8-15)11-24-12-17-6-3-7-25-17/h2,4-5,8,13,17H,3,6-7,10-12H2,1H3,(H,21,22,23).
What are the key properties of 4-methyl-6-[[3-(oxolan-2-ylmethoxymethyl)phenyl]methylamino]pyrimidine-5-carbonitrile?
4-methyl-6-[[3-(oxolan-2-ylmethoxymethyl)phenyl]methylamino]pyrimidine-5-carbonitrile has a molecular weight of 338.41 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[[3-(oxolan-2-ylmethoxymethyl)phenyl]methylamino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 167843254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).