N-benzyl-2-[(6-chloro-5-formylpyrimidin-4-yl)amino]acetamide

C14H13ClN4O2 — CID 106193036

IUPACN-benzyl-2-[(6-chloro-5-formylpyrimidin-4-yl)amino]acetamide
SMILESO=Cc1c(Cl)ncnc1NCC(=O)NCc1ccccc1
InChIInChI=1S/C14H13ClN4O2/c15-13-11(8-20)14(19-9-18-13)17-7-12(21)16-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,16,21)(H,17,18,19)
InChIKeyDUMQGPWZZQQYSI-UHFFFAOYSA-N
MW304.74 g/mol
LogP1.67
Rot. Bonds6

About N-benzyl-2-[(6-chloro-5-formylpyrimidin-4-yl)amino]acetamide

N-benzyl-2-[(6-chloro-5-formylpyrimidin-4-yl)amino]acetamide (PubChem CID 106193036) has the molecular formula C14H13ClN4O2 and a molecular weight of 304.74 g/mol. Its IUPAC name is N-benzyl-2-[(6-chloro-5-formylpyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(6-chloro-5-formylpyrimidin-4-yl)amino]acetamide
PubChem CID106193036
Molecular FormulaC14H13ClN4O2
Molecular Weight304.74 g/mol
Exact Mass304.07
IUPAC NameN-benzyl-2-[(6-chloro-5-formylpyrimidin-4-yl)amino]acetamide
SMILESO=Cc1c(Cl)ncnc1NCC(=O)NCc1ccccc1
InChIInChI=1S/C14H13ClN4O2/c15-13-11(8-20)14(19-9-18-13)17-7-12(21)16-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,16,21)(H,17,18,19)
InChIKeyDUMQGPWZZQQYSI-UHFFFAOYSA-N
XLogP1.67
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-6-[(2-hydroxyphenyl)methylamino]pyrimidine-5-carbaldehyde
CID 106196551
N-benzyl-2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]acetamide
CID 106193043
4-chloro-6-[(2-methyl-2-phenylpropyl)amino]pyrimidine-5-carbaldehyde
CID 106193197
2-[[2-(quinazolin-4-ylamino)acetyl]amino]acetic acid
CID 21002376
N-[(4-chlorophenyl)methyl]-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39085196
N-benzyl-2-[(6-bromopyrimidin-4-yl)amino]acetamide
CID 106193023
4-chloro-6-[(1-hydroxy-2-phenylpropan-2-yl)amino]pyrimidine-5-carbaldehyde
CID 105058642
4-(benzylamino)-6-(2-phenylhydrazinyl)pyrimidine-5-carbaldehyde
CID 110171468
N-benzyl-2-[(3-cyanopyrazin-2-yl)amino]acetamide
CID 62671468
N-(pyridin-3-ylmethyl)-2-(quinazolin-4-ylamino)acetamide
CID 110436040
N-benzyl-2-(2,4,6-trichloroanilino)acetamide
CID 28992616
N-benzyl-2-(3-chloro-2-formylphenoxy)acetamide
CID 60792895

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(6-chloro-5-formylpyrimidin-4-yl)amino]acetamide?
The IUPAC name of N-benzyl-2-[(6-chloro-5-formylpyrimidin-4-yl)amino]acetamide (CID 106193036) is N-benzyl-2-[(6-chloro-5-formylpyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for N-benzyl-2-[(6-chloro-5-formylpyrimidin-4-yl)amino]acetamide?
The canonical SMILES for N-benzyl-2-[(6-chloro-5-formylpyrimidin-4-yl)amino]acetamide is O=Cc1c(Cl)ncnc1NCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(6-chloro-5-formylpyrimidin-4-yl)amino]acetamide?
The InChIKey is DUMQGPWZZQQYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2/c15-13-11(8-20)14(19-9-18-13)17-7-12(21)16-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,16,21)(H,17,18,19).
What are the key properties of N-benzyl-2-[(6-chloro-5-formylpyrimidin-4-yl)amino]acetamide?
N-benzyl-2-[(6-chloro-5-formylpyrimidin-4-yl)amino]acetamide has a molecular weight of 304.74 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(6-chloro-5-formylpyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 106193036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).