4-amino-2-chloropyrimidine-5-carbonitrile

C5H3ClN4 — CID 2801166

IUPAC4-amino-2-chloropyrimidine-5-carbonitrile
SMILESN#Cc1cnc(Cl)nc1N
InChIInChI=1S/C5H3ClN4/c6-5-9-2-3(1-7)4(8)10-5/h2H,(H2,8,9,10)
InChIKeyWDHFCSOENXEMRC-UHFFFAOYSA-N
MW154.56 g/mol
LogP0.58
Rot. Bonds

About 4-amino-2-chloropyrimidine-5-carbonitrile

4-amino-2-chloropyrimidine-5-carbonitrile (PubChem CID 2801166) has the molecular formula C5H3ClN4 and a molecular weight of 154.56 g/mol. Its IUPAC name is 4-amino-2-chloropyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-chloropyrimidine-5-carbonitrile
PubChem CID2801166
Molecular FormulaC5H3ClN4
Molecular Weight154.56 g/mol
Exact Mass154.00
IUPAC Name4-amino-2-chloropyrimidine-5-carbonitrile
SMILESN#Cc1cnc(Cl)nc1N
InChIInChI=1S/C5H3ClN4/c6-5-9-2-3(1-7)4(8)10-5/h2H,(H2,8,9,10)
InChIKeyWDHFCSOENXEMRC-UHFFFAOYSA-N
XLogP0.58
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.56
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloropyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-chloropyrimidine-5-carbonitrile (CID 2801166) is 4-amino-2-chloropyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-chloropyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-chloropyrimidine-5-carbonitrile is N#Cc1cnc(Cl)nc1N.
What is the InChIKey of 4-amino-2-chloropyrimidine-5-carbonitrile?
The InChIKey is WDHFCSOENXEMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN4/c6-5-9-2-3(1-7)4(8)10-5/h2H,(H2,8,9,10).
What are the key properties of 4-amino-2-chloropyrimidine-5-carbonitrile?
4-amino-2-chloropyrimidine-5-carbonitrile has a molecular weight of 154.56 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloropyrimidine-5-carbonitrile is sourced from PubChem (CID 2801166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).