5-chloro-2-N-ethyl-4-N-morpholin-4-ylpyrimidine-2,4-diamine

C10H16ClN5O — CID 83027231

IUPAC5-chloro-2-N-ethyl-4-N-morpholin-4-ylpyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(NN2CCOCC2)n1
InChIInChI=1S/C10H16ClN5O/c1-2-12-10-13-7-8(11)9(14-10)15-16-3-5-17-6-4-16/h7H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyWUZCCAQXBMYXTL-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.22
Rot. Bonds4

About 5-chloro-2-N-ethyl-4-N-morpholin-4-ylpyrimidine-2,4-diamine

5-chloro-2-N-ethyl-4-N-morpholin-4-ylpyrimidine-2,4-diamine (PubChem CID 83027231) has the molecular formula C10H16ClN5O and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-chloro-2-N-ethyl-4-N-morpholin-4-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-ethyl-4-N-morpholin-4-ylpyrimidine-2,4-diamine
PubChem CID83027231
Molecular FormulaC10H16ClN5O
Molecular Weight257.72 g/mol
Exact Mass257.10
IUPAC Name5-chloro-2-N-ethyl-4-N-morpholin-4-ylpyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(NN2CCOCC2)n1
InChIInChI=1S/C10H16ClN5O/c1-2-12-10-13-7-8(11)9(14-10)15-16-3-5-17-6-4-16/h7H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyWUZCCAQXBMYXTL-UHFFFAOYSA-N
XLogP1.22
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methoxypyrimidin-4-yl)morpholin-4-amine
CID 83025406
5-chloro-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80769890
5-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80777687
4-N-butan-2-yl-5-chloro-2-N-ethylpyrimidine-2,4-diamine
CID 80765829
5-chloro-2-N-ethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 80784211
5-chloro-2-N-ethyl-4-N-(3-methyloxan-3-yl)pyrimidine-2,4-diamine
CID 114114652
6-N,5-diethyl-4-N-morpholin-4-ylpyrimidine-4,6-diamine
CID 83026987
5-chloro-2-N-ethyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 106327636
N-(3,5,6-trichloro-2-pyridinyl)morpholin-4-amine
CID 102751710
5-chloro-2-N-ethyl-4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 80831006
5-chloro-2-N-ethyl-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-2,4-diamine
CID 107647139
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-morpholin-4-ylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-ethyl-4-N-morpholin-4-ylpyrimidine-2,4-diamine (CID 83027231) is 5-chloro-2-N-ethyl-4-N-morpholin-4-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-ethyl-4-N-morpholin-4-ylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-ethyl-4-N-morpholin-4-ylpyrimidine-2,4-diamine is CCNc1ncc(Cl)c(NN2CCOCC2)n1.
What is the InChIKey of 5-chloro-2-N-ethyl-4-N-morpholin-4-ylpyrimidine-2,4-diamine?
The InChIKey is WUZCCAQXBMYXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5O/c1-2-12-10-13-7-8(11)9(14-10)15-16-3-5-17-6-4-16/h7H,2-6H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-chloro-2-N-ethyl-4-N-morpholin-4-ylpyrimidine-2,4-diamine?
5-chloro-2-N-ethyl-4-N-morpholin-4-ylpyrimidine-2,4-diamine has a molecular weight of 257.72 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-ethyl-4-N-morpholin-4-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 83027231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).