4-amino-2,6-dichloropyrimidine-5-carbonitrile

C5H2Cl2N4 — CID 86032659

IUPAC4-amino-2,6-dichloropyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(Cl)nc1Cl
InChIInChI=1S/C5H2Cl2N4/c6-3-2(1-8)4(9)11-5(7)10-3/h(H2,9,10,11)
InChIKeyQPQAJQWXWPUOLL-UHFFFAOYSA-N
MW189.00 g/mol
LogP1.24
Rot. Bonds

About 4-amino-2,6-dichloropyrimidine-5-carbonitrile

4-amino-2,6-dichloropyrimidine-5-carbonitrile (PubChem CID 86032659) has the molecular formula C5H2Cl2N4 and a molecular weight of 189.00 g/mol. Its IUPAC name is 4-amino-2,6-dichloropyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2,6-dichloropyrimidine-5-carbonitrile
PubChem CID86032659
Molecular FormulaC5H2Cl2N4
Molecular Weight189.00 g/mol
Exact Mass187.97
IUPAC Name4-amino-2,6-dichloropyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(Cl)nc1Cl
InChIInChI=1S/C5H2Cl2N4/c6-3-2(1-8)4(9)11-5(7)10-3/h(H2,9,10,11)
InChIKeyQPQAJQWXWPUOLL-UHFFFAOYSA-N
XLogP1.24
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.00
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,6-Trichloro-5-methylpyrimidine
CID 232789
2-Amino-4,6-dichloro-5-methylpyrimidine
CID 246751
4,6-Dichloropyrimidine-5-carbonitrile
CID 599371
4-Amino-6-chloropyrimidine-5-carbonitrile
CID 12278262
4,6-Dichloro-2-methylpyrimidine-5-carbonitrile
CID 45036993
2,4,6-Triaminopyrimidine-5-carbonitrile
CID 46835388
5-Chloropyrimidine-2,4,6-triamine
CID 345635
N'-[6-chloro-5-cyano-2-(dimethylamino)pyrimidin-4-yl]-N,N-dimethylcarbamimidoyl chloride
CID 15783017
2-[6-Chloro-5-cyano-2-(dimethylamino)pyrimidin-4-yl]-1,1-dimethylguanidine
CID 15828716
4-Amino-6-chloro-2-(methylthio)-5-pyrimidinecarbonitrile
CID 4093159
4,6-Diamino-2-chloro-pyrimidine-5-carbonitrile
CID 10986685
2,4-Diamino-6-chloropyrimidine-5-carbonitrile
CID 86708021

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichloropyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2,6-dichloropyrimidine-5-carbonitrile (CID 86032659) is 4-amino-2,6-dichloropyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2,6-dichloropyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2,6-dichloropyrimidine-5-carbonitrile is N#Cc1c(N)nc(Cl)nc1Cl.
What is the InChIKey of 4-amino-2,6-dichloropyrimidine-5-carbonitrile?
The InChIKey is QPQAJQWXWPUOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl2N4/c6-3-2(1-8)4(9)11-5(7)10-3/h(H2,9,10,11).
What are the key properties of 4-amino-2,6-dichloropyrimidine-5-carbonitrile?
4-amino-2,6-dichloropyrimidine-5-carbonitrile has a molecular weight of 189.00 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dichloropyrimidine-5-carbonitrile is sourced from PubChem (CID 86032659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).