6-amino-1-benzyl-5-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]pyrimidine-2,4-dione

C20H20N8O2 — CID 55500269

IUPAC6-amino-1-benzyl-5-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]pyrimidine-2,4-dione
SMILESCN(Cc1nnnn1-c1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C20H20N8O2/c1-26(13-16-23-24-25-28(16)15-10-6-3-7-11-15)17-18(21)27(20(30)22-19(17)29)12-14-8-4-2-5-9-14/h2-11H,12-13,21H2,1H3,(H,22,29,30)
InChIKeyYRCKIJMNQGMHAH-UHFFFAOYSA-N
MW404.43 g/mol
LogP0.78
Rot. Bonds6

About 6-amino-1-benzyl-5-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]pyrimidine-2,4-dione

6-amino-1-benzyl-5-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]pyrimidine-2,4-dione (PubChem CID 55500269) has the molecular formula C20H20N8O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is 6-amino-1-benzyl-5-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-benzyl-5-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]pyrimidine-2,4-dione
PubChem CID55500269
Molecular FormulaC20H20N8O2
Molecular Weight404.43 g/mol
Exact Mass404.17
IUPAC Name6-amino-1-benzyl-5-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]pyrimidine-2,4-dione
SMILESCN(Cc1nnnn1-c1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C20H20N8O2/c1-26(13-16-23-24-25-28(16)15-10-6-3-7-11-15)17-18(21)27(20(30)22-19(17)29)12-14-8-4-2-5-9-14/h2-11H,12-13,21H2,1H3,(H,22,29,30)
InChIKeyYRCKIJMNQGMHAH-UHFFFAOYSA-N
XLogP0.78
TPSA127.72 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-amino-1-benzyl-5-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-1-benzyl-5-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]pyrimidine-2,4-dione
CID 47069566
6-amino-1-benzyl-5-[methyl(pyridin-3-ylmethyl)amino]pyrimidine-2,4-dione
CID 78807351
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2565576
6-amino-1-benzyl-5-[(2,4-dichlorophenyl)methyl-methylamino]pyrimidine-2,4-dione
CID 55387279
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylpropanamide
CID 52895782
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78836330
6-amino-1-benzyl-5-[benzyl-[(2-chlorophenyl)methyl]amino]pyrimidine-2,4-dione
CID 34646156
6-amino-1-benzyl-5-[methyl-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]amino]pyrimidine-2,4-dione
CID 86796207
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-ethyl-N-methylbenzamide
CID 7998139
(3R)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-phenylbutanamide
CID 8025303
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 55477513
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-[methyl(methylsulfonyl)amino]acetamide
CID 55605012

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-5-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-benzyl-5-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]pyrimidine-2,4-dione (CID 55500269) is 6-amino-1-benzyl-5-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-benzyl-5-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-benzyl-5-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]pyrimidine-2,4-dione is CN(Cc1nnnn1-c1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-benzyl-5-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]pyrimidine-2,4-dione?
The InChIKey is YRCKIJMNQGMHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O2/c1-26(13-16-23-24-25-28(16)15-10-6-3-7-11-15)17-18(21)27(20(30)22-19(17)29)12-14-8-4-2-5-9-14/h2-11H,12-13,21H2,1H3,(H,22,29,30).
What are the key properties of 6-amino-1-benzyl-5-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]pyrimidine-2,4-dione?
6-amino-1-benzyl-5-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]pyrimidine-2,4-dione has a molecular weight of 404.43 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-benzyl-5-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]pyrimidine-2,4-dione is sourced from PubChem (CID 55500269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).