4,6-dichloro-5-N-methylpyrimidine-2,5-diamine

C5H6Cl2N4 — CID 58349378

IUPAC4,6-dichloro-5-N-methylpyrimidine-2,5-diamine
SMILESCNc1c(Cl)nc(N)nc1Cl
InChIInChI=1S/C5H6Cl2N4/c1-9-2-3(6)10-5(8)11-4(2)7/h9H,1H3,(H2,8,10,11)
InChIKeyFXWJNZRJOWDLBQ-UHFFFAOYSA-N
MW193.04 g/mol
LogP1.41
Rot. Bonds1

About 4,6-dichloro-5-N-methylpyrimidine-2,5-diamine

4,6-dichloro-5-N-methylpyrimidine-2,5-diamine (PubChem CID 58349378) has the molecular formula C5H6Cl2N4 and a molecular weight of 193.04 g/mol. Its IUPAC name is 4,6-dichloro-5-N-methylpyrimidine-2,5-diamine.

Molecular Properties

Compound Name4,6-dichloro-5-N-methylpyrimidine-2,5-diamine
PubChem CID58349378
Molecular FormulaC5H6Cl2N4
Molecular Weight193.04 g/mol
Exact Mass192.00
IUPAC Name4,6-dichloro-5-N-methylpyrimidine-2,5-diamine
SMILESCNc1c(Cl)nc(N)nc1Cl
InChIInChI=1S/C5H6Cl2N4/c1-9-2-3(6)10-5(8)11-4(2)7/h9H,1H3,(H2,8,10,11)
InChIKeyFXWJNZRJOWDLBQ-UHFFFAOYSA-N
XLogP1.41
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.04
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-N-methylpyrimidine-2,5-diamine?
The IUPAC name of 4,6-dichloro-5-N-methylpyrimidine-2,5-diamine (CID 58349378) is 4,6-dichloro-5-N-methylpyrimidine-2,5-diamine.
What is the SMILES notation for 4,6-dichloro-5-N-methylpyrimidine-2,5-diamine?
The canonical SMILES for 4,6-dichloro-5-N-methylpyrimidine-2,5-diamine is CNc1c(Cl)nc(N)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-N-methylpyrimidine-2,5-diamine?
The InChIKey is FXWJNZRJOWDLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Cl2N4/c1-9-2-3(6)10-5(8)11-4(2)7/h9H,1H3,(H2,8,10,11).
What are the key properties of 4,6-dichloro-5-N-methylpyrimidine-2,5-diamine?
4,6-dichloro-5-N-methylpyrimidine-2,5-diamine has a molecular weight of 193.04 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-N-methylpyrimidine-2,5-diamine is sourced from PubChem (CID 58349378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).