N-[2-(3-chlorophenyl)ethyl]-6-morpholin-4-yl-2-phenylpyrimidin-4-amine

C22H23ClN4O — CID 112880538

IUPACN-[2-(3-chlorophenyl)ethyl]-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
SMILESClc1cccc(CCNc2cc(N3CCOCC3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C22H23ClN4O/c23-19-8-4-5-17(15-19)9-10-24-20-16-21(27-11-13-28-14-12-27)26-22(25-20)18-6-2-1-3-7-18/h1-8,15-16H,9-14H2,(H,24,25,26)
InChIKeyRRROUKJFZWEEQL-UHFFFAOYSA-N
MW394.91 g/mol
LogP4.29
Rot. Bonds6

About N-[2-(3-chlorophenyl)ethyl]-6-morpholin-4-yl-2-phenylpyrimidin-4-amine

N-[2-(3-chlorophenyl)ethyl]-6-morpholin-4-yl-2-phenylpyrimidin-4-amine (PubChem CID 112880538) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-6-morpholin-4-yl-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
PubChem CID112880538
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
SMILESClc1cccc(CCNc2cc(N3CCOCC3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C22H23ClN4O/c23-19-8-4-5-17(15-19)9-10-24-20-16-21(27-11-13-28-14-12-27)26-22(25-20)18-6-2-1-3-7-18/h1-8,15-16H,9-14H2,(H,24,25,26)
InChIKeyRRROUKJFZWEEQL-UHFFFAOYSA-N
XLogP4.29
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(methylsulfanylamino)phenyl]-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
CID 143437669
N-[(2-methoxyphenyl)methyl]-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880506
N-cyclopropyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112879434
N-[2-(4-methoxyphenyl)ethyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112879966
6-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-4-amine
CID 112857039
6-[2-(3-chlorophenyl)ethylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
CID 112851893
N-cycloheptyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880530
N-(4-methylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880543
6-morpholin-4-yl-2-phenyl-N-(1-phenylethyl)pyrimidin-4-amine
CID 112880500
N-[2-(3-fluorophenyl)ethyl]-6-morpholin-4-ylpyridin-2-amine
CID 90689116
6-morpholin-4-yl-2-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 112880558
N-(2-ethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880553

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-6-morpholin-4-yl-2-phenylpyrimidin-4-amine?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-6-morpholin-4-yl-2-phenylpyrimidin-4-amine (CID 112880538) is N-[2-(3-chlorophenyl)ethyl]-6-morpholin-4-yl-2-phenylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-6-morpholin-4-yl-2-phenylpyrimidin-4-amine?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-6-morpholin-4-yl-2-phenylpyrimidin-4-amine is Clc1cccc(CCNc2cc(N3CCOCC3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-6-morpholin-4-yl-2-phenylpyrimidin-4-amine?
The InChIKey is RRROUKJFZWEEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c23-19-8-4-5-17(15-19)9-10-24-20-16-21(27-11-13-28-14-12-27)26-22(25-20)18-6-2-1-3-7-18/h1-8,15-16H,9-14H2,(H,24,25,26).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-6-morpholin-4-yl-2-phenylpyrimidin-4-amine?
N-[2-(3-chlorophenyl)ethyl]-6-morpholin-4-yl-2-phenylpyrimidin-4-amine has a molecular weight of 394.91 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-6-morpholin-4-yl-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 112880538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).