2-methyl-6-[(6-methyl-1,3-benzodioxol-5-yl)amino]pyrimidine-4-carbonitrile

C14H12N4O2 — CID 115143215

IUPAC2-methyl-6-[(6-methyl-1,3-benzodioxol-5-yl)amino]pyrimidine-4-carbonitrile
SMILESCc1nc(C#N)cc(Nc2cc3c(cc2C)OCO3)n1
InChIInChI=1S/C14H12N4O2/c1-8-3-12-13(20-7-19-12)5-11(8)18-14-4-10(6-15)16-9(2)17-14/h3-5H,7H2,1-2H3,(H,16,17,18)
InChIKeyUMYJNAXUSHEYBH-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.44
Rot. Bonds2

About 2-methyl-6-[(6-methyl-1,3-benzodioxol-5-yl)amino]pyrimidine-4-carbonitrile

2-methyl-6-[(6-methyl-1,3-benzodioxol-5-yl)amino]pyrimidine-4-carbonitrile (PubChem CID 115143215) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-methyl-6-[(6-methyl-1,3-benzodioxol-5-yl)amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-[(6-methyl-1,3-benzodioxol-5-yl)amino]pyrimidine-4-carbonitrile
PubChem CID115143215
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name2-methyl-6-[(6-methyl-1,3-benzodioxol-5-yl)amino]pyrimidine-4-carbonitrile
SMILESCc1nc(C#N)cc(Nc2cc3c(cc2C)OCO3)n1
InChIInChI=1S/C14H12N4O2/c1-8-3-12-13(20-7-19-12)5-11(8)18-14-4-10(6-15)16-9(2)17-14/h3-5H,7H2,1-2H3,(H,16,17,18)
InChIKeyUMYJNAXUSHEYBH-UHFFFAOYSA-N
XLogP2.44
TPSA80.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-3-[(6-methyl-1,3-benzodioxol-5-yl)amino]benzonitrile
CID 115127224
6-(2,3-dihydro-1-benzofuran-5-ylamino)-2-methylpyrimidine-4-carbonitrile
CID 115143207
2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]pyrimidine-4-carbonitrile
CID 115143317
6-methyl-[1,3]dioxolo[4,5-b]pyridine-5-carbonitrile
CID 170324009
1-[[(6-methyl-1,3-benzodioxol-5-yl)amino]methyl]cyclopropane-1-carbonitrile
CID 115242026
3-methyl-2-[[(6-methyl-1,3-benzodioxol-5-yl)amino]methyl]butanenitrile
CID 115254302
6-methyl-N-propan-2-yl-1,3-benzodioxol-5-amine
CID 83698244
4-N-(1,3-benzodioxol-5-yl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80759901
2-methyl-1-[(6-methyl-1,3-benzodioxol-5-yl)amino]propan-2-ol
CID 115136804
6-(3-ethyl-4-methoxyanilino)-2-methylpyrimidine-4-carbonitrile
CID 115143180
6-N-(1,3-benzodioxol-5-yl)-4-N-(2-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878306
4-[[6-(2,5-dimethylanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112877401

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(6-methyl-1,3-benzodioxol-5-yl)amino]pyrimidine-4-carbonitrile?
The IUPAC name of 2-methyl-6-[(6-methyl-1,3-benzodioxol-5-yl)amino]pyrimidine-4-carbonitrile (CID 115143215) is 2-methyl-6-[(6-methyl-1,3-benzodioxol-5-yl)amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-methyl-6-[(6-methyl-1,3-benzodioxol-5-yl)amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-methyl-6-[(6-methyl-1,3-benzodioxol-5-yl)amino]pyrimidine-4-carbonitrile is Cc1nc(C#N)cc(Nc2cc3c(cc2C)OCO3)n1.
What is the InChIKey of 2-methyl-6-[(6-methyl-1,3-benzodioxol-5-yl)amino]pyrimidine-4-carbonitrile?
The InChIKey is UMYJNAXUSHEYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-8-3-12-13(20-7-19-12)5-11(8)18-14-4-10(6-15)16-9(2)17-14/h3-5H,7H2,1-2H3,(H,16,17,18).
What are the key properties of 2-methyl-6-[(6-methyl-1,3-benzodioxol-5-yl)amino]pyrimidine-4-carbonitrile?
2-methyl-6-[(6-methyl-1,3-benzodioxol-5-yl)amino]pyrimidine-4-carbonitrile has a molecular weight of 268.28 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(6-methyl-1,3-benzodioxol-5-yl)amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 115143215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).