4-[4-(5-chloro-3-pyridinyl)-6-[4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]pyrimidin-2-yl]morpholine

C23H25Cl2N7O — CID 91518518

IUPAC4-[4-(5-chloro-3-pyridinyl)-6-[4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]pyrimidin-2-yl]morpholine
SMILESCC1CN(c2ncccc2Cl)CCN1c1cc(-c2cncc(Cl)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C23H25Cl2N7O/c1-16-15-31(22-19(25)3-2-4-27-22)5-6-32(16)21-12-20(17-11-18(24)14-26-13-17)28-23(29-21)30-7-9-33-10-8-30/h2-4,11-14,16H,5-10,15H2,1H3
InChIKeyICELFCIKLTWYSN-UHFFFAOYSA-N
MW486.41 g/mol
LogP3.79
Rot. Bonds4

About 4-[4-(5-chloro-3-pyridinyl)-6-[4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]pyrimidin-2-yl]morpholine

4-[4-(5-chloro-3-pyridinyl)-6-[4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]pyrimidin-2-yl]morpholine (PubChem CID 91518518) has the molecular formula C23H25Cl2N7O and a molecular weight of 486.41 g/mol. Its IUPAC name is 4-[4-(5-chloro-3-pyridinyl)-6-[4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(5-chloro-3-pyridinyl)-6-[4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]pyrimidin-2-yl]morpholine
PubChem CID91518518
Molecular FormulaC23H25Cl2N7O
Molecular Weight486.41 g/mol
Exact Mass485.15
IUPAC Name4-[4-(5-chloro-3-pyridinyl)-6-[4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]pyrimidin-2-yl]morpholine
SMILESCC1CN(c2ncccc2Cl)CCN1c1cc(-c2cncc(Cl)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C23H25Cl2N7O/c1-16-15-31(22-19(25)3-2-4-27-22)5-6-32(16)21-12-20(17-11-18(24)14-26-13-17)28-23(29-21)30-7-9-33-10-8-30/h2-4,11-14,16H,5-10,15H2,1H3
InChIKeyICELFCIKLTWYSN-UHFFFAOYSA-N
XLogP3.79
TPSA70.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.41
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[4-(5-chloro-3-pyridinyl)-6-[4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]pyrimidin-2-yl]morpholine with MolForge

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Launch Full Analysis

Related Compounds

5-(4-Chlorophenyl)-6-{6-[(2-methoxyethyl)methylamino]pyridin-3-ylethynyl}pyrimidin-4-ylamine
CID 44423525
4-[5-Chloro-6-methyl-2-(2-pyridinyl)-4-pyrimidinyl]morpholine
CID 2796262
N-(3-chlorophenyl)-4-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-2-amine
CID 19689599
5-(2,5-Dichloro-phenyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44381594
5-(2,3-Dichloro-phenyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44381607
5-(3-Chloro-phenyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44381673
N-[4-[5,6,7,8-Tetrahydro-4-(4-morpholinyl)-7-(2-pyrimidinyl)pyrido[3,4-d]pyrimidin-2-yl]phenyl]-2-pyrimidinamine
CID 59239271
2-Morpholin-4-yl-7-pyridin-4-yl-4-pyrimidin-5-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
CID 59244245
4-Methyl-5-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine
CID 59244567
4-Chloro-5-(2,6-di-4-morpholinyl-4-pyrimidinyl)-2-pyridinamine
CID 59507602
N-[6-(6-amino-4-chloro-3-pyridinyl)-2-(4-morpholinyl)-4-pyrimidinyl]-3-quinolinamine
CID 59507663
N'-(5-((3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(4-morpholinylmethyl)-2-pyridinyl)amino)-2-chloro-3-pyridinyl)-N,N-dimethylsulfamide
CID 59548260

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-chloro-3-pyridinyl)-6-[4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-(5-chloro-3-pyridinyl)-6-[4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]pyrimidin-2-yl]morpholine (CID 91518518) is 4-[4-(5-chloro-3-pyridinyl)-6-[4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(5-chloro-3-pyridinyl)-6-[4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-(5-chloro-3-pyridinyl)-6-[4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]pyrimidin-2-yl]morpholine is CC1CN(c2ncccc2Cl)CCN1c1cc(-c2cncc(Cl)c2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-(5-chloro-3-pyridinyl)-6-[4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]pyrimidin-2-yl]morpholine?
The InChIKey is ICELFCIKLTWYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N7O/c1-16-15-31(22-19(25)3-2-4-27-22)5-6-32(16)21-12-20(17-11-18(24)14-26-13-17)28-23(29-21)30-7-9-33-10-8-30/h2-4,11-14,16H,5-10,15H2,1H3.
What are the key properties of 4-[4-(5-chloro-3-pyridinyl)-6-[4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]pyrimidin-2-yl]morpholine?
4-[4-(5-chloro-3-pyridinyl)-6-[4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]pyrimidin-2-yl]morpholine has a molecular weight of 486.41 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-chloro-3-pyridinyl)-6-[4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 91518518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).