6-(2-morpholin-4-ylphenyl)-5-piperazin-1-ylpyrimidine-2,4-diamine

C18H25N7O — CID 137481303

IUPAC6-(2-morpholin-4-ylphenyl)-5-piperazin-1-ylpyrimidine-2,4-diamine
SMILESNc1nc(N)c(N2CCNCC2)c(-c2ccccc2N2CCOCC2)n1
InChIInChI=1S/C18H25N7O/c19-17-16(25-7-5-21-6-8-25)15(22-18(20)23-17)13-3-1-2-4-14(13)24-9-11-26-12-10-24/h1-4,21H,5-12H2,(H4,19,20,22,23)
InChIKeyZJJUJTCHKPSZQH-UHFFFAOYSA-N
MW355.45 g/mol
LogP0.55
Rot. Bonds3

About 6-(2-morpholin-4-ylphenyl)-5-piperazin-1-ylpyrimidine-2,4-diamine

6-(2-morpholin-4-ylphenyl)-5-piperazin-1-ylpyrimidine-2,4-diamine (PubChem CID 137481303) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is 6-(2-morpholin-4-ylphenyl)-5-piperazin-1-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2-morpholin-4-ylphenyl)-5-piperazin-1-ylpyrimidine-2,4-diamine
PubChem CID137481303
Molecular FormulaC18H25N7O
Molecular Weight355.45 g/mol
Exact Mass355.21
IUPAC Name6-(2-morpholin-4-ylphenyl)-5-piperazin-1-ylpyrimidine-2,4-diamine
SMILESNc1nc(N)c(N2CCNCC2)c(-c2ccccc2N2CCOCC2)n1
InChIInChI=1S/C18H25N7O/c19-17-16(25-7-5-21-6-8-25)15(22-18(20)23-17)13-3-1-2-4-14(13)24-9-11-26-12-10-24/h1-4,21H,5-12H2,(H4,19,20,22,23)
InChIKeyZJJUJTCHKPSZQH-UHFFFAOYSA-N
XLogP0.55
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2-morpholin-4-ylphenyl)-5-piperazin-1-ylpyrimidine-2,4-diamine?
The IUPAC name of 6-(2-morpholin-4-ylphenyl)-5-piperazin-1-ylpyrimidine-2,4-diamine (CID 137481303) is 6-(2-morpholin-4-ylphenyl)-5-piperazin-1-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2-morpholin-4-ylphenyl)-5-piperazin-1-ylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(2-morpholin-4-ylphenyl)-5-piperazin-1-ylpyrimidine-2,4-diamine is Nc1nc(N)c(N2CCNCC2)c(-c2ccccc2N2CCOCC2)n1.
What is the InChIKey of 6-(2-morpholin-4-ylphenyl)-5-piperazin-1-ylpyrimidine-2,4-diamine?
The InChIKey is ZJJUJTCHKPSZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O/c19-17-16(25-7-5-21-6-8-25)15(22-18(20)23-17)13-3-1-2-4-14(13)24-9-11-26-12-10-24/h1-4,21H,5-12H2,(H4,19,20,22,23).
What are the key properties of 6-(2-morpholin-4-ylphenyl)-5-piperazin-1-ylpyrimidine-2,4-diamine?
6-(2-morpholin-4-ylphenyl)-5-piperazin-1-ylpyrimidine-2,4-diamine has a molecular weight of 355.45 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-morpholin-4-ylphenyl)-5-piperazin-1-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 137481303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).