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

C6H9ClN4 — CID 13413764

IUPAC6-chloro-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nc(N)cc(Cl)n1
InChIInChI=1S/C6H9ClN4/c1-11(2)6-9-4(7)3-5(8)10-6/h3H,1-2H3,(H2,8,9,10)
InChIKeyNMWKOBZHKWXQFS-UHFFFAOYSA-N
MW172.62 g/mol
LogP0.78
Rot. Bonds1

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

6-chloro-2-N,2-N-dimethylpyrimidine-2,4-diamine (PubChem CID 13413764) has the molecular formula C6H9ClN4 and a molecular weight of 172.62 g/mol. Its IUPAC name is 6-chloro-2-N,2-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N-dimethylpyrimidine-2,4-diamine
PubChem CID13413764
Molecular FormulaC6H9ClN4
Molecular Weight172.62 g/mol
Exact Mass172.05
IUPAC Name6-chloro-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nc(N)cc(Cl)n1
InChIInChI=1S/C6H9ClN4/c1-11(2)6-9-4(7)3-5(8)10-6/h3H,1-2H3,(H2,8,9,10)
InChIKeyNMWKOBZHKWXQFS-UHFFFAOYSA-N
XLogP0.78
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.62
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N-dimethylpyrimidine-2,4-diamine (CID 13413764) is 6-chloro-2-N,2-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N-dimethylpyrimidine-2,4-diamine is CN(C)c1nc(N)cc(Cl)n1.
What is the InChIKey of 6-chloro-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is NMWKOBZHKWXQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN4/c1-11(2)6-9-4(7)3-5(8)10-6/h3H,1-2H3,(H2,8,9,10).
What are the key properties of 6-chloro-2-N,2-N-dimethylpyrimidine-2,4-diamine?
6-chloro-2-N,2-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 172.62 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,2-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 13413764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).