N-(3-chloro-4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine

C21H21ClN4O2 — CID 112880572

IUPACN-(3-chloro-4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1Cl
InChIInChI=1S/C21H21ClN4O2/c1-27-18-8-7-16(13-17(18)22)23-19-14-20(26-9-11-28-12-10-26)25-21(24-19)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,23,24,25)
InChIKeyIVVLVAHQCQRBTR-UHFFFAOYSA-N
MW396.88 g/mol
LogP4.39
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine

N-(3-chloro-4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine (PubChem CID 112880572) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
PubChem CID112880572
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC NameN-(3-chloro-4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1Cl
InChIInChI=1S/C21H21ClN4O2/c1-27-18-8-7-16(13-17(18)22)23-19-14-20(26-9-11-28-12-10-26)25-21(24-19)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,23,24,25)
InChIKeyIVVLVAHQCQRBTR-UHFFFAOYSA-N
XLogP4.39
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-chloro-4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880581
N-(4-methylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880543
6-morpholin-4-yl-2-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 112880558
N-(2,4-dimethoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880580
4-N-(3-chloro-4-methoxyphenyl)-6-N-(4-chlorophenyl)-2-phenylpyrimidine-4,6-diamine
CID 171320844
N-[(2-methoxyphenyl)methyl]-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880506
N-(3-chloro-4-methoxyphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine
CID 30298469
N-(3,4-dimethoxyphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935575
6-morpholin-4-yl-2-phenyl-N-(1-phenylethyl)pyrimidin-4-amine
CID 112880500
6-morpholin-4-yl-2-phenyl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 112880557
N-(2-ethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880553
N-cyclopropyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112879434

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine (CID 112880572) is N-(3-chloro-4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine is COc1ccc(Nc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine?
The InChIKey is IVVLVAHQCQRBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-27-18-8-7-16(13-17(18)22)23-19-14-20(26-9-11-28-12-10-26)25-21(24-19)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,23,24,25).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine?
N-(3-chloro-4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine has a molecular weight of 396.88 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 112880572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).