2-chloro-4-N,6-dimethylpyrimidine-4,5-diamine

C6H9ClN4 — CID 7147190

IUPAC2-chloro-4-N,6-dimethylpyrimidine-4,5-diamine
SMILESCNc1nc(Cl)nc(C)c1N
InChIInChI=1S/C6H9ClN4/c1-3-4(8)5(9-2)11-6(7)10-3/h8H2,1-2H3,(H,9,10,11)
InChIKeyGRKBHWUDUVHOQC-UHFFFAOYSA-N
MW172.62 g/mol
LogP1.06
Rot. Bonds1

About 2-chloro-4-N,6-dimethylpyrimidine-4,5-diamine

2-chloro-4-N,6-dimethylpyrimidine-4,5-diamine (PubChem CID 7147190) has the molecular formula C6H9ClN4 and a molecular weight of 172.62 g/mol. Its IUPAC name is 2-chloro-4-N,6-dimethylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-chloro-4-N,6-dimethylpyrimidine-4,5-diamine
PubChem CID7147190
Molecular FormulaC6H9ClN4
Molecular Weight172.62 g/mol
Exact Mass172.05
IUPAC Name2-chloro-4-N,6-dimethylpyrimidine-4,5-diamine
SMILESCNc1nc(Cl)nc(C)c1N
InChIInChI=1S/C6H9ClN4/c1-3-4(8)5(9-2)11-6(7)10-3/h8H2,1-2H3,(H,9,10,11)
InChIKeyGRKBHWUDUVHOQC-UHFFFAOYSA-N
XLogP1.06
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.62
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N,6-dimethylpyrimidine-4,5-diamine?
The IUPAC name of 2-chloro-4-N,6-dimethylpyrimidine-4,5-diamine (CID 7147190) is 2-chloro-4-N,6-dimethylpyrimidine-4,5-diamine.
What is the SMILES notation for 2-chloro-4-N,6-dimethylpyrimidine-4,5-diamine?
The canonical SMILES for 2-chloro-4-N,6-dimethylpyrimidine-4,5-diamine is CNc1nc(Cl)nc(C)c1N.
What is the InChIKey of 2-chloro-4-N,6-dimethylpyrimidine-4,5-diamine?
The InChIKey is GRKBHWUDUVHOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN4/c1-3-4(8)5(9-2)11-6(7)10-3/h8H2,1-2H3,(H,9,10,11).
What are the key properties of 2-chloro-4-N,6-dimethylpyrimidine-4,5-diamine?
2-chloro-4-N,6-dimethylpyrimidine-4,5-diamine has a molecular weight of 172.62 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N,6-dimethylpyrimidine-4,5-diamine is sourced from PubChem (CID 7147190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).