6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(5-phenyltetrazol-2-yl)acetyl]pyrimidine-2,4-dione

C18H21N7O3 — CID 78788514

IUPAC6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(5-phenyltetrazol-2-yl)acetyl]pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(C(=O)Cn2nnc(-c3ccccc3)n2)c(=O)n(C)c1=O
InChIInChI=1S/C18H21N7O3/c1-11(2)9-24-15(19)14(17(27)23(3)18(24)28)13(26)10-25-21-16(20-22-25)12-7-5-4-6-8-12/h4-8,11H,9-10,19H2,1-3H3
InChIKeyOPZJVLJRYWYLGO-UHFFFAOYSA-N
MW383.41 g/mol
LogP0.32
Rot. Bonds6

About 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(5-phenyltetrazol-2-yl)acetyl]pyrimidine-2,4-dione

6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(5-phenyltetrazol-2-yl)acetyl]pyrimidine-2,4-dione (PubChem CID 78788514) has the molecular formula C18H21N7O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(5-phenyltetrazol-2-yl)acetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(5-phenyltetrazol-2-yl)acetyl]pyrimidine-2,4-dione
PubChem CID78788514
Molecular FormulaC18H21N7O3
Molecular Weight383.41 g/mol
Exact Mass383.17
IUPAC Name6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(5-phenyltetrazol-2-yl)acetyl]pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(C(=O)Cn2nnc(-c3ccccc3)n2)c(=O)n(C)c1=O
InChIInChI=1S/C18H21N7O3/c1-11(2)9-24-15(19)14(17(27)23(3)18(24)28)13(26)10-25-21-16(20-22-25)12-7-5-4-6-8-12/h4-8,11H,9-10,19H2,1-3H3
InChIKeyOPZJVLJRYWYLGO-UHFFFAOYSA-N
XLogP0.32
TPSA130.69 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

6-amino-5-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 51595719
6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]pyrimidine-2,4-dione
CID 27194199
6-amino-3-methyl-5-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 4304150
6-amino-3-methyl-1-(2-methylpropyl)-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetyl]pyrimidine-2,4-dione
CID 55470235
6-amino-5-[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 3947933
[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 2103460
6-amino-5-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 31374340
[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate
CID 55734751
6-amino-3-methyl-1-(2-methylpropyl)-5-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione
CID 4819871
[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 2-benzamidobenzoate
CID 30115727
6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
CID 16535636
[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 4-fluorobenzoate
CID 2084006

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(5-phenyltetrazol-2-yl)acetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(5-phenyltetrazol-2-yl)acetyl]pyrimidine-2,4-dione (CID 78788514) is 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(5-phenyltetrazol-2-yl)acetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(5-phenyltetrazol-2-yl)acetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(5-phenyltetrazol-2-yl)acetyl]pyrimidine-2,4-dione is CC(C)Cn1c(N)c(C(=O)Cn2nnc(-c3ccccc3)n2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(5-phenyltetrazol-2-yl)acetyl]pyrimidine-2,4-dione?
The InChIKey is OPZJVLJRYWYLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O3/c1-11(2)9-24-15(19)14(17(27)23(3)18(24)28)13(26)10-25-21-16(20-22-25)12-7-5-4-6-8-12/h4-8,11H,9-10,19H2,1-3H3.
What are the key properties of 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(5-phenyltetrazol-2-yl)acetyl]pyrimidine-2,4-dione?
6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(5-phenyltetrazol-2-yl)acetyl]pyrimidine-2,4-dione has a molecular weight of 383.41 g/mol, XLogP of 0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(5-phenyltetrazol-2-yl)acetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 78788514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).