4,6-dichloro-2-methylpyrimidine-5-carbonitrile

C6H3Cl2N3 — CID 45036993

IUPAC4,6-dichloro-2-methylpyrimidine-5-carbonitrile
SMILESCc1nc(Cl)c(C#N)c(Cl)n1
InChIInChI=1S/C6H3Cl2N3/c1-3-10-5(7)4(2-9)6(8)11-3/h1H3
InChIKeyWTCXSVBJUSNPOI-UHFFFAOYSA-N
MW188.02 g/mol
LogP1.96
Rot. Bonds

About 4,6-dichloro-2-methylpyrimidine-5-carbonitrile

4,6-dichloro-2-methylpyrimidine-5-carbonitrile (PubChem CID 45036993) has the molecular formula C6H3Cl2N3 and a molecular weight of 188.02 g/mol. Its IUPAC name is 4,6-dichloro-2-methylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4,6-dichloro-2-methylpyrimidine-5-carbonitrile
PubChem CID45036993
Molecular FormulaC6H3Cl2N3
Molecular Weight188.02 g/mol
Exact Mass186.97
IUPAC Name4,6-dichloro-2-methylpyrimidine-5-carbonitrile
SMILESCc1nc(Cl)c(C#N)c(Cl)n1
InChIInChI=1S/C6H3Cl2N3/c1-3-10-5(7)4(2-9)6(8)11-3/h1H3
InChIKeyWTCXSVBJUSNPOI-UHFFFAOYSA-N
XLogP1.96
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.02
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-Dichloro-2-cyclopropyl-5-methylpyrimidine
CID 54595731
2,4,6-Trichloro-5-methylpyrimidine
CID 232789
4,5,6-Trichloro-2-methylpyrimidine
CID 231054
2-Amino-4,6-dichloro-5-methylpyrimidine
CID 246751
4,6-Dichloropyrimidine-5-carbonitrile
CID 599371
4,6-Dichloro-2,5-dimethylpyrimidine
CID 237013
Pyrimidine, 4-amino-6-chloro-2,5-dimethyl-
CID 205584
4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbonitrile
CID 4201620
Trichloropyrimidine-2-carbonitrile
CID 10703605
5-(Bromomethyl)-4,6-dichloro-2-methylpyrimidine
CID 237260
4,5,6-Trichloro-2-propan-2-ylpyrimidine
CID 249014
4,6-Dichloro-5-fluoro-2-methylpyrimidine
CID 13731033

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-methylpyrimidine-5-carbonitrile?
The IUPAC name of 4,6-dichloro-2-methylpyrimidine-5-carbonitrile (CID 45036993) is 4,6-dichloro-2-methylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4,6-dichloro-2-methylpyrimidine-5-carbonitrile?
The canonical SMILES for 4,6-dichloro-2-methylpyrimidine-5-carbonitrile is Cc1nc(Cl)c(C#N)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-methylpyrimidine-5-carbonitrile?
The InChIKey is WTCXSVBJUSNPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2N3/c1-3-10-5(7)4(2-9)6(8)11-3/h1H3.
What are the key properties of 4,6-dichloro-2-methylpyrimidine-5-carbonitrile?
4,6-dichloro-2-methylpyrimidine-5-carbonitrile has a molecular weight of 188.02 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-methylpyrimidine-5-carbonitrile is sourced from PubChem (CID 45036993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).