5-chloro-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine

C7H11ClN4 — CID 80769890

IUPAC5-chloro-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(NC)n1
InChIInChI=1S/C7H11ClN4/c1-3-10-7-11-4-5(8)6(9-2)12-7/h4H,3H2,1-2H3,(H2,9,10,11,12)
InChIKeyMCNRHLJYMLCXCZ-UHFFFAOYSA-N
MW186.65 g/mol
LogP1.60
Rot. Bonds3

About 5-chloro-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine

5-chloro-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine (PubChem CID 80769890) has the molecular formula C7H11ClN4 and a molecular weight of 186.65 g/mol. Its IUPAC name is 5-chloro-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
PubChem CID80769890
Molecular FormulaC7H11ClN4
Molecular Weight186.65 g/mol
Exact Mass186.07
IUPAC Name5-chloro-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(NC)n1
InChIInChI=1S/C7H11ClN4/c1-3-10-7-11-4-5(8)6(9-2)12-7/h4H,3H2,1-2H3,(H2,9,10,11,12)
InChIKeyMCNRHLJYMLCXCZ-UHFFFAOYSA-N
XLogP1.60
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.65
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-N-ethyl-4-N-(3-ethylpentan-2-yl)pyrimidine-2,4-diamine
CID 80846037
4-N-butan-2-yl-5-chloro-2-N-ethylpyrimidine-2,4-diamine
CID 80765829
5-chloro-2-N-ethyl-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-2,4-diamine
CID 107647139
5-chloro-2-N-ethyl-4-N-(6-methylheptan-2-yl)pyrimidine-2,4-diamine
CID 80800808
6-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]hexan-1-ol
CID 107855284
5-chloro-2-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine
CID 80760360
5-chloro-2-N-ethyl-4-N-hexan-2-ylpyrimidine-2,4-diamine
CID 80822478
5-chloro-4-N-(2,4-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80760116
5-chloro-2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine
CID 80838637
4-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 114150365
5-chloro-2-N-ethyl-4-N-(2,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80824592
5-chloro-4-N-(3,5-dimethylcyclohexyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80841105

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine (CID 80769890) is 5-chloro-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine is CCNc1ncc(Cl)c(NC)n1.
What is the InChIKey of 5-chloro-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is MCNRHLJYMLCXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4/c1-3-10-7-11-4-5(8)6(9-2)12-7/h4H,3H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 5-chloro-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine?
5-chloro-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 186.65 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80769890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).