6-chloropyrimidine-2,4-diamine;hydrochloride

C4H6Cl2N4 — CID 3054499

IUPAC6-chloropyrimidine-2,4-diamine;hydrochloride
SMILESCl.Nc1cc(Cl)nc(N)n1
InChIInChI=1S/C4H5ClN4.ClH/c5-2-1-3(6)9-4(7)8-2;/h1H,(H4,6,7,8,9);1H
InChIKeyYNJYNMKNCYRZJR-UHFFFAOYSA-N
MW181.03 g/mol
LogP0.72
Rot. Bonds

About 6-chloropyrimidine-2,4-diamine;hydrochloride

6-chloropyrimidine-2,4-diamine;hydrochloride (PubChem CID 3054499) has the molecular formula C4H6Cl2N4 and a molecular weight of 181.03 g/mol. Its IUPAC name is 6-chloropyrimidine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name6-chloropyrimidine-2,4-diamine;hydrochloride
PubChem CID3054499
Molecular FormulaC4H6Cl2N4
Molecular Weight181.03 g/mol
Exact Mass180.00
IUPAC Name6-chloropyrimidine-2,4-diamine;hydrochloride
SMILESCl.Nc1cc(Cl)nc(N)n1
InChIInChI=1S/C4H5ClN4.ClH/c5-2-1-3(6)9-4(7)8-2;/h1H,(H4,6,7,8,9);1H
InChIKeyYNJYNMKNCYRZJR-UHFFFAOYSA-N
XLogP0.72
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.03
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloropyrimidine-2,4-diamine;hydrochloride?
The IUPAC name of 6-chloropyrimidine-2,4-diamine;hydrochloride (CID 3054499) is 6-chloropyrimidine-2,4-diamine;hydrochloride.
What is the SMILES notation for 6-chloropyrimidine-2,4-diamine;hydrochloride?
The canonical SMILES for 6-chloropyrimidine-2,4-diamine;hydrochloride is Cl.Nc1cc(Cl)nc(N)n1.
What is the InChIKey of 6-chloropyrimidine-2,4-diamine;hydrochloride?
The InChIKey is YNJYNMKNCYRZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN4.ClH/c5-2-1-3(6)9-4(7)8-2;/h1H,(H4,6,7,8,9);1H.
What are the key properties of 6-chloropyrimidine-2,4-diamine;hydrochloride?
6-chloropyrimidine-2,4-diamine;hydrochloride has a molecular weight of 181.03 g/mol, XLogP of 0.72, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloropyrimidine-2,4-diamine;hydrochloride is sourced from PubChem (CID 3054499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).