N-(3,5-dichlorophenyl)-6-morpholin-4-ylpyrimidin-4-amine

C14H14Cl2N4O — CID 112857173

IUPACN-(3,5-dichlorophenyl)-6-morpholin-4-ylpyrimidin-4-amine
SMILESClc1cc(Cl)cc(Nc2cc(N3CCOCC3)ncn2)c1
InChIInChI=1S/C14H14Cl2N4O/c15-10-5-11(16)7-12(6-10)19-13-8-14(18-9-17-13)20-1-3-21-4-2-20/h5-9H,1-4H2,(H,17,18,19)
InChIKeyMLAXLFPVFOHBLK-UHFFFAOYSA-N
MW325.20 g/mol
LogP3.36
Rot. Bonds3

About N-(3,5-dichlorophenyl)-6-morpholin-4-ylpyrimidin-4-amine

N-(3,5-dichlorophenyl)-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 112857173) has the molecular formula C14H14Cl2N4O and a molecular weight of 325.20 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-6-morpholin-4-ylpyrimidin-4-amine
PubChem CID112857173
Molecular FormulaC14H14Cl2N4O
Molecular Weight325.20 g/mol
Exact Mass324.05
IUPAC NameN-(3,5-dichlorophenyl)-6-morpholin-4-ylpyrimidin-4-amine
SMILESClc1cc(Cl)cc(Nc2cc(N3CCOCC3)ncn2)c1
InChIInChI=1S/C14H14Cl2N4O/c15-10-5-11(16)7-12(6-10)19-13-8-14(18-9-17-13)20-1-3-21-4-2-20/h5-9H,1-4H2,(H,17,18,19)
InChIKeyMLAXLFPVFOHBLK-UHFFFAOYSA-N
XLogP3.36
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-6-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(3,5-dichlorophenyl)-6-morpholin-4-ylpyrimidin-4-amine (CID 112857173) is N-(3,5-dichlorophenyl)-6-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(3,5-dichlorophenyl)-6-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(3,5-dichlorophenyl)-6-morpholin-4-ylpyrimidin-4-amine is Clc1cc(Cl)cc(Nc2cc(N3CCOCC3)ncn2)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-6-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is MLAXLFPVFOHBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O/c15-10-5-11(16)7-12(6-10)19-13-8-14(18-9-17-13)20-1-3-21-4-2-20/h5-9H,1-4H2,(H,17,18,19).
What are the key properties of N-(3,5-dichlorophenyl)-6-morpholin-4-ylpyrimidin-4-amine?
N-(3,5-dichlorophenyl)-6-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 325.20 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 112857173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).