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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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).