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

C6H5ClN4 — CID 75412446

IUPAC2-amino-4-chloro-6-methylpyrimidine-5-carbonitrile
SMILESCc1nc(N)nc(Cl)c1C#N
InChIInChI=1S/C6H5ClN4/c1-3-4(2-8)5(7)11-6(9)10-3/h1H3,(H2,9,10,11)
InChIKeyBUGYLQNXUJUMKZ-UHFFFAOYSA-N
MW168.59 g/mol
LogP0.89
Rot. Bonds

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

2-amino-4-chloro-6-methylpyrimidine-5-carbonitrile (PubChem CID 75412446) has the molecular formula C6H5ClN4 and a molecular weight of 168.59 g/mol. Its IUPAC name is 2-amino-4-chloro-6-methylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-chloro-6-methylpyrimidine-5-carbonitrile
PubChem CID75412446
Molecular FormulaC6H5ClN4
Molecular Weight168.59 g/mol
Exact Mass168.02
IUPAC Name2-amino-4-chloro-6-methylpyrimidine-5-carbonitrile
SMILESCc1nc(N)nc(Cl)c1C#N
InChIInChI=1S/C6H5ClN4/c1-3-4(2-8)5(7)11-6(9)10-3/h1H3,(H2,9,10,11)
InChIKeyBUGYLQNXUJUMKZ-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 2-amino-4-chloro-6-methylpyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-chloro-6-methylpyrimidine-5-carbonitrile (CID 75412446) is 2-amino-4-chloro-6-methylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-chloro-6-methylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-chloro-6-methylpyrimidine-5-carbonitrile is Cc1nc(N)nc(Cl)c1C#N.
What is the InChIKey of 2-amino-4-chloro-6-methylpyrimidine-5-carbonitrile?
The InChIKey is BUGYLQNXUJUMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN4/c1-3-4(2-8)5(7)11-6(9)10-3/h1H3,(H2,9,10,11).
What are the key properties of 2-amino-4-chloro-6-methylpyrimidine-5-carbonitrile?
2-amino-4-chloro-6-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 2-amino-4-chloro-6-methylpyrimidine-5-carbonitrile is sourced from PubChem (CID 75412446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).