6-amino-1-benzyl-5-(2-chloroprop-2-enylamino)pyrimidine-2,4-dione

C14H15ClN4O2 — CID 115637277

IUPAC6-amino-1-benzyl-5-(2-chloroprop-2-enylamino)pyrimidine-2,4-dione
SMILESC=C(Cl)CNc1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C14H15ClN4O2/c1-9(15)7-17-11-12(16)19(14(21)18-13(11)20)8-10-5-3-2-4-6-10/h2-6,17H,1,7-8,16H2,(H,18,20,21)
InChIKeyOQKCALIHWZEOTR-UHFFFAOYSA-N
MW306.75 g/mol
LogP1.33
Rot. Bonds5

About 6-amino-1-benzyl-5-(2-chloroprop-2-enylamino)pyrimidine-2,4-dione

6-amino-1-benzyl-5-(2-chloroprop-2-enylamino)pyrimidine-2,4-dione (PubChem CID 115637277) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 6-amino-1-benzyl-5-(2-chloroprop-2-enylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-benzyl-5-(2-chloroprop-2-enylamino)pyrimidine-2,4-dione
PubChem CID115637277
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name6-amino-1-benzyl-5-(2-chloroprop-2-enylamino)pyrimidine-2,4-dione
SMILESC=C(Cl)CNc1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C14H15ClN4O2/c1-9(15)7-17-11-12(16)19(14(21)18-13(11)20)8-10-5-3-2-4-6-10/h2-6,17H,1,7-8,16H2,(H,18,20,21)
InChIKeyOQKCALIHWZEOTR-UHFFFAOYSA-N
XLogP1.33
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-1-benzyl-5-(benzylamino)pyrimidine-2,4-dione
CID 2344558
6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4-dione
CID 726225
6-amino-1-benzyl-5-(butylamino)pyrimidine-2,4-dione
CID 3828480
6-amino-1-benzyl-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyrimidine-2,4-dione
CID 113239928
6-amino-1-benzyl-5-[(2-methyloxolan-3-yl)methylamino]pyrimidine-2,4-dione
CID 114106337
6-amino-1-benzyl-5-(2-chloroacetyl)pyrimidine-2,4-dione
CID 5100314
6-amino-1-benzyl-5-[(3-methylsulfanylcyclopentyl)amino]pyrimidine-2,4-dione
CID 113244152
6-amino-1-benzyl-5-(4-methylsulfinylbutan-2-ylamino)pyrimidine-2,4-dione
CID 113254298
6-amino-1-ethyl-5-[(2-hydroxy-2-phenylethyl)amino]pyrimidine-2,4-dione
CID 60649098
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylpropanamide
CID 52895782
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-[methyl(2-methylprop-2-enyl)amino]acetamide
CID 8635399
6-amino-1-ethyl-5-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidine-2,4-dione
CID 63312031

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-5-(2-chloroprop-2-enylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-benzyl-5-(2-chloroprop-2-enylamino)pyrimidine-2,4-dione (CID 115637277) is 6-amino-1-benzyl-5-(2-chloroprop-2-enylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-benzyl-5-(2-chloroprop-2-enylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-benzyl-5-(2-chloroprop-2-enylamino)pyrimidine-2,4-dione is C=C(Cl)CNc1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-benzyl-5-(2-chloroprop-2-enylamino)pyrimidine-2,4-dione?
The InChIKey is OQKCALIHWZEOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-9(15)7-17-11-12(16)19(14(21)18-13(11)20)8-10-5-3-2-4-6-10/h2-6,17H,1,7-8,16H2,(H,18,20,21).
What are the key properties of 6-amino-1-benzyl-5-(2-chloroprop-2-enylamino)pyrimidine-2,4-dione?
6-amino-1-benzyl-5-(2-chloroprop-2-enylamino)pyrimidine-2,4-dione has a molecular weight of 306.75 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-benzyl-5-(2-chloroprop-2-enylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 115637277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).