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

C17H20N8O2 — CID 47069566

IUPAC6-amino-1-benzyl-5-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]pyrimidine-2,4-dione
SMILESCN(Cc1nnnn1C1CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C17H20N8O2/c1-23(10-13-20-21-22-25(13)12-7-8-12)14-15(18)24(17(27)19-16(14)26)9-11-5-3-2-4-6-11/h2-6,12H,7-10,18H2,1H3,(H,19,26,27)
InChIKeyGPORUGOGEXOZGY-UHFFFAOYSA-N
MW368.40 g/mol
LogP0.12
Rot. Bonds6

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

6-amino-1-benzyl-5-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]pyrimidine-2,4-dione (PubChem CID 47069566) has the molecular formula C17H20N8O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is 6-amino-1-benzyl-5-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-benzyl-5-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]pyrimidine-2,4-dione
PubChem CID47069566
Molecular FormulaC17H20N8O2
Molecular Weight368.40 g/mol
Exact Mass368.17
IUPAC Name6-amino-1-benzyl-5-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]pyrimidine-2,4-dione
SMILESCN(Cc1nnnn1C1CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C17H20N8O2/c1-23(10-13-20-21-22-25(13)12-7-8-12)14-15(18)24(17(27)19-16(14)26)9-11-5-3-2-4-6-11/h2-6,12H,7-10,18H2,1H3,(H,19,26,27)
InChIKeyGPORUGOGEXOZGY-UHFFFAOYSA-N
XLogP0.12
TPSA127.72 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-5-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-benzyl-5-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]pyrimidine-2,4-dione (CID 47069566) is 6-amino-1-benzyl-5-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-benzyl-5-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-benzyl-5-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]pyrimidine-2,4-dione is CN(Cc1nnnn1C1CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-benzyl-5-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]pyrimidine-2,4-dione?
The InChIKey is GPORUGOGEXOZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O2/c1-23(10-13-20-21-22-25(13)12-7-8-12)14-15(18)24(17(27)19-16(14)26)9-11-5-3-2-4-6-11/h2-6,12H,7-10,18H2,1H3,(H,19,26,27).
What are the key properties of 6-amino-1-benzyl-5-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]pyrimidine-2,4-dione?
6-amino-1-benzyl-5-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]pyrimidine-2,4-dione has a molecular weight of 368.40 g/mol, XLogP of 0.12, 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-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]pyrimidine-2,4-dione is sourced from PubChem (CID 47069566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).