6-chloro-4-N,4-N-dimethylpyrimidine-4,5-diamine

C6H9ClN4 — CID 768955

IUPAC6-chloro-4-N,4-N-dimethylpyrimidine-4,5-diamine
SMILESCN(C)c1ncnc(Cl)c1N
InChIInChI=1S/C6H9ClN4/c1-11(2)6-4(8)5(7)9-3-10-6/h3H,8H2,1-2H3
InChIKeyRFKXBMROGCCOFS-UHFFFAOYSA-N
MW172.62 g/mol
LogP0.78
Rot. Bonds1

About 6-chloro-4-N,4-N-dimethylpyrimidine-4,5-diamine

6-chloro-4-N,4-N-dimethylpyrimidine-4,5-diamine (PubChem CID 768955) has the molecular formula C6H9ClN4 and a molecular weight of 172.62 g/mol. Its IUPAC name is 6-chloro-4-N,4-N-dimethylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N,4-N-dimethylpyrimidine-4,5-diamine
PubChem CID768955
Molecular FormulaC6H9ClN4
Molecular Weight172.62 g/mol
Exact Mass172.05
IUPAC Name6-chloro-4-N,4-N-dimethylpyrimidine-4,5-diamine
SMILESCN(C)c1ncnc(Cl)c1N
InChIInChI=1S/C6H9ClN4/c1-11(2)6-4(8)5(7)9-3-10-6/h3H,8H2,1-2H3
InChIKeyRFKXBMROGCCOFS-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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Related Compounds

4,5-Pyrimidinediamine, 6-chloro-
CID 78010
4-Chloro-6-pyrrolidin-1-yl-pyrimidin-5-ylamine
CID 1085196
2,5-Diamino-4,6-dichloropyrimidine
CID 301039
5-Amino-4,6-dichloropyrimidine
CID 79434
4-[4-(5-Amino-6-chloro-4-pyrimidinyl)-1-piperazinyl]-6-chloro-5-pyrimidinylamine
CID 714023
4-Chloro-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine
CID 1085197
4,5,6-Pyrimidinetriamine
CID 67049
6-chloro-N4-methylpyrimidine-4,5-diamine
CID 308477
6-Chloropyrimidine-2,4,5-triamine
CID 500505
4-Chloro-6-hydrazinylpyrimidin-5-amine
CID 222075
4,6-Dichloro-N-methylpyrimidin-5-amine
CID 250274
6-chloro-4-N-ethylpyrimidine-4,5-diamine
CID 351002

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N,4-N-dimethylpyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N,4-N-dimethylpyrimidine-4,5-diamine (CID 768955) is 6-chloro-4-N,4-N-dimethylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N,4-N-dimethylpyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N,4-N-dimethylpyrimidine-4,5-diamine is CN(C)c1ncnc(Cl)c1N.
What is the InChIKey of 6-chloro-4-N,4-N-dimethylpyrimidine-4,5-diamine?
The InChIKey is RFKXBMROGCCOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN4/c1-11(2)6-4(8)5(7)9-3-10-6/h3H,8H2,1-2H3.
What are the key properties of 6-chloro-4-N,4-N-dimethylpyrimidine-4,5-diamine?
6-chloro-4-N,4-N-dimethylpyrimidine-4,5-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-4-N,4-N-dimethylpyrimidine-4,5-diamine is sourced from PubChem (CID 768955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).