6-chloro-4-N,4-N-diethylpyrimidine-2,4-diamine

C8H13ClN4 — CID 1484287

IUPAC6-chloro-4-N,4-N-diethylpyrimidine-2,4-diamine
SMILESCCN(CC)c1cc(Cl)nc(N)n1
InChIInChI=1S/C8H13ClN4/c1-3-13(4-2)7-5-6(9)11-8(10)12-7/h5H,3-4H2,1-2H3,(H2,10,11,12)
InChIKeyJZPXSIGRVGTURL-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.56
Rot. Bonds3

About 6-chloro-4-N,4-N-diethylpyrimidine-2,4-diamine

6-chloro-4-N,4-N-diethylpyrimidine-2,4-diamine (PubChem CID 1484287) has the molecular formula C8H13ClN4 and a molecular weight of 200.67 g/mol. Its IUPAC name is 6-chloro-4-N,4-N-diethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N,4-N-diethylpyrimidine-2,4-diamine
PubChem CID1484287
Molecular FormulaC8H13ClN4
Molecular Weight200.67 g/mol
Exact Mass200.08
IUPAC Name6-chloro-4-N,4-N-diethylpyrimidine-2,4-diamine
SMILESCCN(CC)c1cc(Cl)nc(N)n1
InChIInChI=1S/C8H13ClN4/c1-3-13(4-2)7-5-6(9)11-8(10)12-7/h5H,3-4H2,1-2H3,(H2,10,11,12)
InChIKeyJZPXSIGRVGTURL-UHFFFAOYSA-N
XLogP1.56
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N,4-N-diethylpyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N,4-N-diethylpyrimidine-2,4-diamine (CID 1484287) is 6-chloro-4-N,4-N-diethylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N,4-N-diethylpyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N,4-N-diethylpyrimidine-2,4-diamine is CCN(CC)c1cc(Cl)nc(N)n1.
What is the InChIKey of 6-chloro-4-N,4-N-diethylpyrimidine-2,4-diamine?
The InChIKey is JZPXSIGRVGTURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4/c1-3-13(4-2)7-5-6(9)11-8(10)12-7/h5H,3-4H2,1-2H3,(H2,10,11,12).
What are the key properties of 6-chloro-4-N,4-N-diethylpyrimidine-2,4-diamine?
6-chloro-4-N,4-N-diethylpyrimidine-2,4-diamine has a molecular weight of 200.67 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N,4-N-diethylpyrimidine-2,4-diamine is sourced from PubChem (CID 1484287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).