N-(3,4-dichlorophenyl)-4-morpholin-4-ylpyrimidin-2-amine

C14H14Cl2N4O — CID 112886522

IUPACN-(3,4-dichlorophenyl)-4-morpholin-4-ylpyrimidin-2-amine
SMILESClc1ccc(Nc2nccc(N3CCOCC3)n2)cc1Cl
InChIInChI=1S/C14H14Cl2N4O/c15-11-2-1-10(9-12(11)16)18-14-17-4-3-13(19-14)20-5-7-21-8-6-20/h1-4,9H,5-8H2,(H,17,18,19)
InChIKeyXXSNAJCXIVZTKW-UHFFFAOYSA-N
MW325.20 g/mol
LogP3.36
Rot. Bonds3

About N-(3,4-dichlorophenyl)-4-morpholin-4-ylpyrimidin-2-amine

N-(3,4-dichlorophenyl)-4-morpholin-4-ylpyrimidin-2-amine (PubChem CID 112886522) has the molecular formula C14H14Cl2N4O and a molecular weight of 325.20 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-morpholin-4-ylpyrimidin-2-amine
PubChem CID112886522
Molecular FormulaC14H14Cl2N4O
Molecular Weight325.20 g/mol
Exact Mass324.05
IUPAC NameN-(3,4-dichlorophenyl)-4-morpholin-4-ylpyrimidin-2-amine
SMILESClc1ccc(Nc2nccc(N3CCOCC3)n2)cc1Cl
InChIInChI=1S/C14H14Cl2N4O/c15-11-2-1-10(9-12(11)16)18-14-17-4-3-13(19-14)20-5-7-21-8-6-20/h1-4,9H,5-8H2,(H,17,18,19)
InChIKeyXXSNAJCXIVZTKW-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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Related Compounds

N-(2,5-dichlorophenyl)-4-morpholin-4-ylpyrimidin-2-amine
CID 112886524
N-(3-chloro-4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 112896430
N-(3-chloro-4-fluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884544
N-[4-(3-chloropropoxy)phenyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 142745789
N-(3-chloro-4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 112896431
4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 58891146
4-(2-morpholin-4-yl-4-pyridinyl)-N-phenylpyrimidin-2-amine
CID 71458570
4-N,4-N-diethyl-1-N-(4-morpholin-4-ylpyrimidin-2-yl)benzene-1,4-diamine
CID 112886496
methyl 4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]benzoate
CID 112886492
N-(3-chloro-4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112888005
N-[4-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-2-yl]isoquinolin-6-amine
CID 58432892
N-(3-chloro-4-morpholin-4-ylphenyl)-4-(2,4-dimethyl-1H-pyrrol-3-yl)pyrimidin-2-amine
CID 24762454

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-4-morpholin-4-ylpyrimidin-2-amine (CID 112886522) is N-(3,4-dichlorophenyl)-4-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-morpholin-4-ylpyrimidin-2-amine is Clc1ccc(Nc2nccc(N3CCOCC3)n2)cc1Cl.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is XXSNAJCXIVZTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O/c15-11-2-1-10(9-12(11)16)18-14-17-4-3-13(19-14)20-5-7-21-8-6-20/h1-4,9H,5-8H2,(H,17,18,19).
What are the key properties of N-(3,4-dichlorophenyl)-4-morpholin-4-ylpyrimidin-2-amine?
N-(3,4-dichlorophenyl)-4-morpholin-4-ylpyrimidin-2-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-(3,4-dichlorophenyl)-4-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 112886522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).