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

C12H14N4O2 — CID 726225

IUPAC6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4-dione
SMILESCNc1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C12H14N4O2/c1-14-9-10(13)16(12(18)15-11(9)17)7-8-5-3-2-4-6-8/h2-6,14H,7,13H2,1H3,(H,15,17,18)
InChIKeyHMRFBSJXLDMJAC-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.21
Rot. Bonds3

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

6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4-dione (PubChem CID 726225) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4-dione
PubChem CID726225
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4-dione
SMILESCNc1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C12H14N4O2/c1-14-9-10(13)16(12(18)15-11(9)17)7-8-5-3-2-4-6-8/h2-6,14H,7,13H2,1H3,(H,15,17,18)
InChIKeyHMRFBSJXLDMJAC-UHFFFAOYSA-N
XLogP0.21
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.21
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-(butylamino)pyrimidine-2,4-dione
CID 3828480
6-amino-1-benzyl-5-(2-chloroprop-2-enylamino)pyrimidine-2,4-dione
CID 115637277
6-amino-1-benzyl-5-(4-methylsulfinylbutan-2-ylamino)pyrimidine-2,4-dione
CID 113254298
6-amino-1-benzyl-5-[(2-methyloxolan-3-yl)methylamino]pyrimidine-2,4-dione
CID 114106337
6-amino-1-benzyl-5-[(3-methylsulfanylcyclopentyl)amino]pyrimidine-2,4-dione
CID 113244152
6-amino-1-benzyl-5-(2-chloroacetyl)pyrimidine-2,4-dione
CID 5100314
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylpropanamide
CID 52895782
6-amino-1-benzyl-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyrimidine-2,4-dione
CID 113239928
6-amino-1-benzyl-5-(4-methylpiperazin-4-ium-1-yl)pyrimidine-2,4-dione
CID 2426288
6-amino-1-methyl-5-(methylamino)pyrimidine-2,4-dione
CID 4133025
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethylbenzenesulfonamide
CID 71463473

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4-dione (CID 726225) is 6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4-dione is CNc1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4-dione?
The InChIKey is HMRFBSJXLDMJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-14-9-10(13)16(12(18)15-11(9)17)7-8-5-3-2-4-6-8/h2-6,14H,7,13H2,1H3,(H,15,17,18).
What are the key properties of 6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4-dione?
6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4-dione has a molecular weight of 246.27 g/mol, XLogP of 0.21, 3 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-(methylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 726225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).