2-[4-[[4-[(2,6-dichlorophenyl)methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide

C18H19Cl2N7O2 — CID 131970050

IUPAC2-[4-[[4-[(2,6-dichlorophenyl)methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
SMILESO=C(Cn1cc(Nc2nccc(NCc3c(Cl)cccc3Cl)n2)cn1)NCCO
InChIInChI=1S/C18H19Cl2N7O2/c19-14-2-1-3-15(20)13(14)9-23-16-4-5-22-18(26-16)25-12-8-24-27(10-12)11-17(29)21-6-7-28/h1-5,8,10,28H,6-7,9,11H2,(H,21,29)(H2,22,23,25,26)
InChIKeyVBTDKBFQOQSVIL-UHFFFAOYSA-N
MW436.30 g/mol
LogP2.44
Rot. Bonds9

About 2-[4-[[4-[(2,6-dichlorophenyl)methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide

2-[4-[[4-[(2,6-dichlorophenyl)methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide (PubChem CID 131970050) has the molecular formula C18H19Cl2N7O2 and a molecular weight of 436.30 g/mol. Its IUPAC name is 2-[4-[[4-[(2,6-dichlorophenyl)methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-[[4-[(2,6-dichlorophenyl)methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
PubChem CID131970050
Molecular FormulaC18H19Cl2N7O2
Molecular Weight436.30 g/mol
Exact Mass435.10
IUPAC Name2-[4-[[4-[(2,6-dichlorophenyl)methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
SMILESO=C(Cn1cc(Nc2nccc(NCc3c(Cl)cccc3Cl)n2)cn1)NCCO
InChIInChI=1S/C18H19Cl2N7O2/c19-14-2-1-3-15(20)13(14)9-23-16-4-5-22-18(26-16)25-12-8-24-27(10-12)11-17(29)21-6-7-28/h1-5,8,10,28H,6-7,9,11H2,(H,21,29)(H2,22,23,25,26)
InChIKeyVBTDKBFQOQSVIL-UHFFFAOYSA-N
XLogP2.44
TPSA116.99 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.30
LogP ≤ 52.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-[4-[[4-[(2,6-dichlorophenyl)methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide with MolForge

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Related Compounds

2-[4-[[4-[(2-chloro-6-fluorophenyl)methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-(2-fluoroethyl)acetamide
CID 90022992
2-[4-[[4-[(2,6-difluoro-3-methoxyphenyl)methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 90024056
2-[4-[[4-[(2,6-dichloro-3-fluorophenyl)methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-3-methylbutanamide
CID 90033783
2-[4-[1-(2-chlorophenyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017432
2-[4-[[4-[[(2E)-3-fluoro-2-(1-fluoroethenyl)penta-2,4-dienyl]amino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 131970144
2-[4-[(5-chloro-2-fluorophenyl)methylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017147
3,5-difluoro-N,N-dimethyl-4-[[[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]benzamide
CID 72706529
4-N-benzyl-2-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidine-2,4-diamine
CID 175733728
2-[4-[2-(3-chloroanilino)pyrimidin-4-yl]indol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 24961390
2-[4-[(2-bromo-6-chlorophenyl)methylamino]pyrazol-1-yl]ethanol
CID 146104499
2-[4-(3,3-dimethylbutan-2-ylamino)pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017445
2-[[2-[3-(dimethylamino)anilino]pyrimidin-4-yl]amino]ethanol
CID 117086718

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[(2,6-dichlorophenyl)methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[4-[[4-[(2,6-dichlorophenyl)methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide (CID 131970050) is 2-[4-[[4-[(2,6-dichlorophenyl)methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[4-[[4-[(2,6-dichlorophenyl)methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[4-[[4-[(2,6-dichlorophenyl)methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide is O=C(Cn1cc(Nc2nccc(NCc3c(Cl)cccc3Cl)n2)cn1)NCCO.
What is the InChIKey of 2-[4-[[4-[(2,6-dichlorophenyl)methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is VBTDKBFQOQSVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N7O2/c19-14-2-1-3-15(20)13(14)9-23-16-4-5-22-18(26-16)25-12-8-24-27(10-12)11-17(29)21-6-7-28/h1-5,8,10,28H,6-7,9,11H2,(H,21,29)(H2,22,23,25,26).
What are the key properties of 2-[4-[[4-[(2,6-dichlorophenyl)methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide?
2-[4-[[4-[(2,6-dichlorophenyl)methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 436.30 g/mol, XLogP of 2.44, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[(2,6-dichlorophenyl)methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 131970050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).