4-amino-6-chloro-2-methylpyrimidine-5-carbonitrile

C6H5ClN4 — CID 55252691

IUPAC4-amino-6-chloro-2-methylpyrimidine-5-carbonitrile
SMILESCc1nc(N)c(C#N)c(Cl)n1
InChIInChI=1S/C6H5ClN4/c1-3-10-5(7)4(2-8)6(9)11-3/h1H3,(H2,9,10,11)
InChIKeyRCKHTMVNHANHKZ-UHFFFAOYSA-N
MW168.59 g/mol
LogP0.89
Rot. Bonds

About 4-amino-6-chloro-2-methylpyrimidine-5-carbonitrile

4-amino-6-chloro-2-methylpyrimidine-5-carbonitrile (PubChem CID 55252691) has the molecular formula C6H5ClN4 and a molecular weight of 168.59 g/mol. Its IUPAC name is 4-amino-6-chloro-2-methylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-chloro-2-methylpyrimidine-5-carbonitrile
PubChem CID55252691
Molecular FormulaC6H5ClN4
Molecular Weight168.59 g/mol
Exact Mass168.02
IUPAC Name4-amino-6-chloro-2-methylpyrimidine-5-carbonitrile
SMILESCc1nc(N)c(C#N)c(Cl)n1
InChIInChI=1S/C6H5ClN4/c1-3-10-5(7)4(2-8)6(9)11-3/h1H3,(H2,9,10,11)
InChIKeyRCKHTMVNHANHKZ-UHFFFAOYSA-N
XLogP0.89
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.59
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-chloro-2-methylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-chloro-2-methylpyrimidine-5-carbonitrile (CID 55252691) is 4-amino-6-chloro-2-methylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-chloro-2-methylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-chloro-2-methylpyrimidine-5-carbonitrile is Cc1nc(N)c(C#N)c(Cl)n1.
What is the InChIKey of 4-amino-6-chloro-2-methylpyrimidine-5-carbonitrile?
The InChIKey is RCKHTMVNHANHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN4/c1-3-10-5(7)4(2-8)6(9)11-3/h1H3,(H2,9,10,11).
What are the key properties of 4-amino-6-chloro-2-methylpyrimidine-5-carbonitrile?
4-amino-6-chloro-2-methylpyrimidine-5-carbonitrile has a molecular weight of 168.59 g/mol, XLogP of 0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-chloro-2-methylpyrimidine-5-carbonitrile is sourced from PubChem (CID 55252691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).