(2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)-N-[3-(pyrimidin-2-ylamino)propyl]acetamide

C17H21Cl2N5O — CID 96997811

IUPAC(2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)-N-[3-(pyrimidin-2-ylamino)propyl]acetamide
SMILESCN(C)[C@@H](C(=O)NCCCNc1ncccn1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H21Cl2N5O/c1-24(2)15(12-9-13(18)11-14(19)10-12)16(25)20-5-3-6-21-17-22-7-4-8-23-17/h4,7-11,15H,3,5-6H2,1-2H3,(H,20,25)(H,21,22,23)/t15-/m1/s1
InChIKeyGTEVFFKNQXBCDS-OAHLLOKOSA-N
MW382.30 g/mol
LogP3.00
Rot. Bonds8

About (2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)-N-[3-(pyrimidin-2-ylamino)propyl]acetamide

(2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)-N-[3-(pyrimidin-2-ylamino)propyl]acetamide (PubChem CID 96997811) has the molecular formula C17H21Cl2N5O and a molecular weight of 382.30 g/mol. Its IUPAC name is (2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)-N-[3-(pyrimidin-2-ylamino)propyl]acetamide.

Molecular Properties

Compound Name(2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)-N-[3-(pyrimidin-2-ylamino)propyl]acetamide
PubChem CID96997811
Molecular FormulaC17H21Cl2N5O
Molecular Weight382.30 g/mol
Exact Mass381.11
IUPAC Name(2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)-N-[3-(pyrimidin-2-ylamino)propyl]acetamide
SMILESCN(C)[C@@H](C(=O)NCCCNc1ncccn1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H21Cl2N5O/c1-24(2)15(12-9-13(18)11-14(19)10-12)16(25)20-5-3-6-21-17-22-7-4-8-23-17/h4,7-11,15H,3,5-6H2,1-2H3,(H,20,25)(H,21,22,23)/t15-/m1/s1
InChIKeyGTEVFFKNQXBCDS-OAHLLOKOSA-N
XLogP3.00
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)-N-[3-(pyrimidin-2-ylamino)propyl]acetamide?
The IUPAC name of (2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)-N-[3-(pyrimidin-2-ylamino)propyl]acetamide (CID 96997811) is (2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)-N-[3-(pyrimidin-2-ylamino)propyl]acetamide.
What is the SMILES notation for (2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)-N-[3-(pyrimidin-2-ylamino)propyl]acetamide?
The canonical SMILES for (2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)-N-[3-(pyrimidin-2-ylamino)propyl]acetamide is CN(C)[C@@H](C(=O)NCCCNc1ncccn1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)-N-[3-(pyrimidin-2-ylamino)propyl]acetamide?
The InChIKey is GTEVFFKNQXBCDS-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21Cl2N5O/c1-24(2)15(12-9-13(18)11-14(19)10-12)16(25)20-5-3-6-21-17-22-7-4-8-23-17/h4,7-11,15H,3,5-6H2,1-2H3,(H,20,25)(H,21,22,23)/t15-/m1/s1.
What are the key properties of (2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)-N-[3-(pyrimidin-2-ylamino)propyl]acetamide?
(2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)-N-[3-(pyrimidin-2-ylamino)propyl]acetamide has a molecular weight of 382.30 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)-N-[3-(pyrimidin-2-ylamino)propyl]acetamide is sourced from PubChem (CID 96997811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).