5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine

C15H17Cl2N5O — CID 10308993

IUPAC5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine
SMILESNCc1c(N)nc(N2CCOCC2)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H17Cl2N5O/c16-9-1-2-10(12(17)7-9)13-11(8-18)14(19)21-15(20-13)22-3-5-23-6-4-22/h1-2,7H,3-6,8,18H2,(H2,19,20,21)
InChIKeyDVMZLMUFYVFJJH-UHFFFAOYSA-N
MW354.24 g/mol
LogP2.33
Rot. Bonds3

About 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine

5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 10308993) has the molecular formula C15H17Cl2N5O and a molecular weight of 354.24 g/mol. Its IUPAC name is 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID10308993
Molecular FormulaC15H17Cl2N5O
Molecular Weight354.24 g/mol
Exact Mass353.08
IUPAC Name5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine
SMILESNCc1c(N)nc(N2CCOCC2)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H17Cl2N5O/c16-9-1-2-10(12(17)7-9)13-11(8-18)14(19)21-15(20-13)22-3-5-23-6-4-22/h1-2,7H,3-6,8,18H2,(H2,19,20,21)
InChIKeyDVMZLMUFYVFJJH-UHFFFAOYSA-N
XLogP2.33
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine (CID 10308993) is 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine is NCc1c(N)nc(N2CCOCC2)nc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is DVMZLMUFYVFJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N5O/c16-9-1-2-10(12(17)7-9)13-11(8-18)14(19)21-15(20-13)22-3-5-23-6-4-22/h1-2,7H,3-6,8,18H2,(H2,19,20,21).
What are the key properties of 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine?
5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 354.24 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 10308993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).