N-[2-(2,4-dichlorophenyl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide

C17H15Cl2N5O2 — CID 109355489

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
SMILESCc1cc(Nc2cc(C(=O)NCCc3ccc(Cl)cc3Cl)ncn2)no1
InChIInChI=1S/C17H15Cl2N5O2/c1-10-6-16(24-26-10)23-15-8-14(21-9-22-15)17(25)20-5-4-11-2-3-12(18)7-13(11)19/h2-3,6-9H,4-5H2,1H3,(H,20,25)(H,21,22,23,24)
InChIKeyFHDIIKHTUWDBNO-UHFFFAOYSA-N
MW392.25 g/mol
LogP3.80
Rot. Bonds6

About N-[2-(2,4-dichlorophenyl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide

N-[2-(2,4-dichlorophenyl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide (PubChem CID 109355489) has the molecular formula C17H15Cl2N5O2 and a molecular weight of 392.25 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
PubChem CID109355489
Molecular FormulaC17H15Cl2N5O2
Molecular Weight392.25 g/mol
Exact Mass391.06
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
SMILESCc1cc(Nc2cc(C(=O)NCCc3ccc(Cl)cc3Cl)ncn2)no1
InChIInChI=1S/C17H15Cl2N5O2/c1-10-6-16(24-26-10)23-15-8-14(21-9-22-15)17(25)20-5-4-11-2-3-12(18)7-13(11)19/h2-3,6-9H,4-5H2,1H3,(H,20,25)(H,21,22,23,24)
InChIKeyFHDIIKHTUWDBNO-UHFFFAOYSA-N
XLogP3.80
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109353733
N-[2-(1H-indol-3-yl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109352281
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108952659
6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347017
6-(2,6-difluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109359971
6-[(4-chlorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109348751
N-[2-(2,4-dichlorophenyl)ethyl]-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 112790704
N-(3-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109359696
6-(2,5-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344394
6-(2,5-dichloroanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide
CID 109345006
N-[2-(2-fluorophenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109308372
6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-2-carboxamide
CID 62233257

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide (CID 109355489) is N-[2-(2,4-dichlorophenyl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide is Cc1cc(Nc2cc(C(=O)NCCc3ccc(Cl)cc3Cl)ncn2)no1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide?
The InChIKey is FHDIIKHTUWDBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5O2/c1-10-6-16(24-26-10)23-15-8-14(21-9-22-15)17(25)20-5-4-11-2-3-12(18)7-13(11)19/h2-3,6-9H,4-5H2,1H3,(H,20,25)(H,21,22,23,24).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide?
N-[2-(2,4-dichlorophenyl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide has a molecular weight of 392.25 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109355489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).