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

C5H7ClN4 — CID 45071767

IUPAC6-chloro-5-methylpyrimidine-2,4-diamine
SMILESCc1c(N)nc(N)nc1Cl
InChIInChI=1S/C5H7ClN4/c1-2-3(6)9-5(8)10-4(2)7/h1H3,(H4,7,8,9,10)
InChIKeyWNTDWOSWIOBGFW-UHFFFAOYSA-N
MW158.59 g/mol
LogP0.60
Rot. Bonds

About 6-chloro-5-methylpyrimidine-2,4-diamine

6-chloro-5-methylpyrimidine-2,4-diamine (PubChem CID 45071767) has the molecular formula C5H7ClN4 and a molecular weight of 158.59 g/mol. Its IUPAC name is 6-chloro-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-5-methylpyrimidine-2,4-diamine
PubChem CID45071767
Molecular FormulaC5H7ClN4
Molecular Weight158.59 g/mol
Exact Mass158.04
IUPAC Name6-chloro-5-methylpyrimidine-2,4-diamine
SMILESCc1c(N)nc(N)nc1Cl
InChIInChI=1S/C5H7ClN4/c1-2-3(6)9-5(8)10-4(2)7/h1H3,(H4,7,8,9,10)
InChIKeyWNTDWOSWIOBGFW-UHFFFAOYSA-N
XLogP0.60
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-5-methylpyrimidine-2,4-diamine (CID 45071767) is 6-chloro-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-5-methylpyrimidine-2,4-diamine is Cc1c(N)nc(N)nc1Cl.
What is the InChIKey of 6-chloro-5-methylpyrimidine-2,4-diamine?
The InChIKey is WNTDWOSWIOBGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN4/c1-2-3(6)9-5(8)10-4(2)7/h1H3,(H4,7,8,9,10).
What are the key properties of 6-chloro-5-methylpyrimidine-2,4-diamine?
6-chloro-5-methylpyrimidine-2,4-diamine has a molecular weight of 158.59 g/mol, XLogP of 0.60, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 45071767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).