2-(4-methoxy-6-methylpyrimidin-2-yl)propanedinitrile

C9H8N4O — CID 130524058

IUPAC2-(4-methoxy-6-methylpyrimidin-2-yl)propanedinitrile
SMILESCOc1cc(C)nc(C(C#N)C#N)n1
InChIInChI=1S/C9H8N4O/c1-6-3-8(14-2)13-9(12-6)7(4-10)5-11/h3,7H,1-2H3
InChIKeyQPLBKJSKRSUKSH-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.92
Rot. Bonds2

About 2-(4-methoxy-6-methylpyrimidin-2-yl)propanedinitrile

2-(4-methoxy-6-methylpyrimidin-2-yl)propanedinitrile (PubChem CID 130524058) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 2-(4-methoxy-6-methylpyrimidin-2-yl)propanedinitrile.

Molecular Properties

Compound Name2-(4-methoxy-6-methylpyrimidin-2-yl)propanedinitrile
PubChem CID130524058
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name2-(4-methoxy-6-methylpyrimidin-2-yl)propanedinitrile
SMILESCOc1cc(C)nc(C(C#N)C#N)n1
InChIInChI=1S/C9H8N4O/c1-6-3-8(14-2)13-9(12-6)7(4-10)5-11/h3,7H,1-2H3
InChIKeyQPLBKJSKRSUKSH-UHFFFAOYSA-N
XLogP0.92
TPSA82.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(difluoromethyl)-4-methoxy-6-methylpyrimidine
CID 176691048
diethyl 2-(4-methoxy-6-methylpyrimidin-2-yl)propanedioate
CID 104573497
2-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxypropanenitrile
CID 115355684
2-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propanamide
CID 107600321
2-(4-methoxy-6-methylpyrimidin-2-yl)pentanoic acid
CID 104571914
1-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propane-1-sulfonamide
CID 107600424
(4-methoxy-6-methylpyrimidin-2-yl)-trimethylazanium chloride
CID 13392681
6-methyl-2-propan-2-ylpyrimidine-4-carbonitrile
CID 166590118
2-[(4,6-dimethoxypyrimidin-2-yl)-phenylmethyl]sulfanyl-4,6-dimethylpyrimidine
CID 4604269
4-(1-bromoethyl)-2-methoxy-6-methylpyridine
CID 146278364
3-(4-chlorophenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)propanoic acid
CID 104573417
4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbonitrile
CID 130077872

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-6-methylpyrimidin-2-yl)propanedinitrile?
The IUPAC name of 2-(4-methoxy-6-methylpyrimidin-2-yl)propanedinitrile (CID 130524058) is 2-(4-methoxy-6-methylpyrimidin-2-yl)propanedinitrile.
What is the SMILES notation for 2-(4-methoxy-6-methylpyrimidin-2-yl)propanedinitrile?
The canonical SMILES for 2-(4-methoxy-6-methylpyrimidin-2-yl)propanedinitrile is COc1cc(C)nc(C(C#N)C#N)n1.
What is the InChIKey of 2-(4-methoxy-6-methylpyrimidin-2-yl)propanedinitrile?
The InChIKey is QPLBKJSKRSUKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c1-6-3-8(14-2)13-9(12-6)7(4-10)5-11/h3,7H,1-2H3.
What are the key properties of 2-(4-methoxy-6-methylpyrimidin-2-yl)propanedinitrile?
2-(4-methoxy-6-methylpyrimidin-2-yl)propanedinitrile has a molecular weight of 188.19 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-6-methylpyrimidin-2-yl)propanedinitrile is sourced from PubChem (CID 130524058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).