2-chloro-4-N-methylpyrimidine-4,5-diamine

C5H7ClN4 — CID 7147172

IUPAC2-chloro-4-N-methylpyrimidine-4,5-diamine
SMILESCNc1nc(Cl)ncc1N
InChIInChI=1S/C5H7ClN4/c1-8-4-3(7)2-9-5(6)10-4/h2H,7H2,1H3,(H,8,9,10)
InChIKeyVDGJDQNGSRECJM-UHFFFAOYSA-N
MW158.59 g/mol
LogP0.75
Rot. Bonds1

About 2-chloro-4-N-methylpyrimidine-4,5-diamine

2-chloro-4-N-methylpyrimidine-4,5-diamine (PubChem CID 7147172) has the molecular formula C5H7ClN4 and a molecular weight of 158.59 g/mol. Its IUPAC name is 2-chloro-4-N-methylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-chloro-4-N-methylpyrimidine-4,5-diamine
PubChem CID7147172
Molecular FormulaC5H7ClN4
Molecular Weight158.59 g/mol
Exact Mass158.04
IUPAC Name2-chloro-4-N-methylpyrimidine-4,5-diamine
SMILESCNc1nc(Cl)ncc1N
InChIInChI=1S/C5H7ClN4/c1-8-4-3(7)2-9-5(6)10-4/h2H,7H2,1H3,(H,8,9,10)
InChIKeyVDGJDQNGSRECJM-UHFFFAOYSA-N
XLogP0.75
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimidin-5-amine
CID 344373
Pyrimidine-2,4,5-triamine
CID 148506
7H-Purin-8-ol
CID 229771
4,5-Diaminopyrimidine
CID 83703
2-Chloropyrimidine-4,5-diamine
CID 84565
Pyrimidine-2,5-diamine
CID 229075
N-methylpyrimidin-4-amine
CID 519971
7H-Purine-8-thiol
CID 4265275
5,6,7,8-Tetrahydropteridine
CID 156
4-(4-Methylpiperazin-1-yl)pyrimidine-2,5-diamine
CID 25130909
5-Amino-4-chloropyrimidine
CID 13404541
2-chloro-N-methyl-5-nitropyrimidin-4-amine
CID 7147232

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-methylpyrimidine-4,5-diamine?
The IUPAC name of 2-chloro-4-N-methylpyrimidine-4,5-diamine (CID 7147172) is 2-chloro-4-N-methylpyrimidine-4,5-diamine.
What is the SMILES notation for 2-chloro-4-N-methylpyrimidine-4,5-diamine?
The canonical SMILES for 2-chloro-4-N-methylpyrimidine-4,5-diamine is CNc1nc(Cl)ncc1N.
What is the InChIKey of 2-chloro-4-N-methylpyrimidine-4,5-diamine?
The InChIKey is VDGJDQNGSRECJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN4/c1-8-4-3(7)2-9-5(6)10-4/h2H,7H2,1H3,(H,8,9,10).
What are the key properties of 2-chloro-4-N-methylpyrimidine-4,5-diamine?
2-chloro-4-N-methylpyrimidine-4,5-diamine has a molecular weight of 158.59 g/mol, XLogP of 0.75, 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-methylpyrimidine-4,5-diamine is sourced from PubChem (CID 7147172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).