4-N-(2,5-dichlorophenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine

C16H19Cl2N5O — CID 112887567

IUPAC4-N-(2,5-dichlorophenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
SMILESClc1ccc(Cl)c(Nc2ccnc(NCCN3CCOCC3)n2)c1
InChIInChI=1S/C16H19Cl2N5O/c17-12-1-2-13(18)14(11-12)21-15-3-4-19-16(22-15)20-5-6-23-7-9-24-10-8-23/h1-4,11H,5-10H2,(H2,19,20,21,22)
InChIKeyBYNDIOXMOBVVGZ-UHFFFAOYSA-N
MW368.27 g/mol
LogP3.27
Rot. Bonds6

About 4-N-(2,5-dichlorophenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine

4-N-(2,5-dichlorophenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 112887567) has the molecular formula C16H19Cl2N5O and a molecular weight of 368.27 g/mol. Its IUPAC name is 4-N-(2,5-dichlorophenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,5-dichlorophenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID112887567
Molecular FormulaC16H19Cl2N5O
Molecular Weight368.27 g/mol
Exact Mass367.10
IUPAC Name4-N-(2,5-dichlorophenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
SMILESClc1ccc(Cl)c(Nc2ccnc(NCCN3CCOCC3)n2)c1
InChIInChI=1S/C16H19Cl2N5O/c17-12-1-2-13(18)14(11-12)21-15-3-4-19-16(22-15)20-5-6-23-7-9-24-10-8-23/h1-4,11H,5-10H2,(H2,19,20,21,22)
InChIKeyBYNDIOXMOBVVGZ-UHFFFAOYSA-N
XLogP3.27
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.27
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dichlorophenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,5-dichlorophenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine (CID 112887567) is 4-N-(2,5-dichlorophenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,5-dichlorophenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,5-dichlorophenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine is Clc1ccc(Cl)c(Nc2ccnc(NCCN3CCOCC3)n2)c1.
What is the InChIKey of 4-N-(2,5-dichlorophenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is BYNDIOXMOBVVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N5O/c17-12-1-2-13(18)14(11-12)21-15-3-4-19-16(22-15)20-5-6-23-7-9-24-10-8-23/h1-4,11H,5-10H2,(H2,19,20,21,22).
What are the key properties of 4-N-(2,5-dichlorophenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
4-N-(2,5-dichlorophenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 368.27 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dichlorophenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112887567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).