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

C16H15N7O3 — CID 38846872

IUPAC6-amino-1-cyclopropyl-5-[2-(5-phenyltetrazol-2-yl)acetyl]pyrimidine-2,4-dione
SMILESNc1c(C(=O)Cn2nnc(-c3ccccc3)n2)c(=O)[nH]c(=O)n1C1CC1
InChIInChI=1S/C16H15N7O3/c17-13-12(15(25)18-16(26)23(13)10-6-7-10)11(24)8-22-20-14(19-21-22)9-4-2-1-3-5-9/h1-5,10H,6-8,17H2,(H,18,25,26)
InChIKeyDKJJHJXNHVHDDE-UHFFFAOYSA-N
MW353.34 g/mol
LogP-0.01
Rot. Bonds5

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

6-amino-1-cyclopropyl-5-[2-(5-phenyltetrazol-2-yl)acetyl]pyrimidine-2,4-dione (PubChem CID 38846872) has the molecular formula C16H15N7O3 and a molecular weight of 353.34 g/mol. Its IUPAC name is 6-amino-1-cyclopropyl-5-[2-(5-phenyltetrazol-2-yl)acetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-cyclopropyl-5-[2-(5-phenyltetrazol-2-yl)acetyl]pyrimidine-2,4-dione
PubChem CID38846872
Molecular FormulaC16H15N7O3
Molecular Weight353.34 g/mol
Exact Mass353.12
IUPAC Name6-amino-1-cyclopropyl-5-[2-(5-phenyltetrazol-2-yl)acetyl]pyrimidine-2,4-dione
SMILESNc1c(C(=O)Cn2nnc(-c3ccccc3)n2)c(=O)[nH]c(=O)n1C1CC1
InChIInChI=1S/C16H15N7O3/c17-13-12(15(25)18-16(26)23(13)10-6-7-10)11(24)8-22-20-14(19-21-22)9-4-2-1-3-5-9/h1-5,10H,6-8,17H2,(H,18,25,26)
InChIKeyDKJJHJXNHVHDDE-UHFFFAOYSA-N
XLogP-0.01
TPSA141.55 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

6-amino-1-cyclopropyl-5-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione
CID 9360291
6-amino-1-cyclopropyl-5-[2-(dibenzylamino)acetyl]pyrimidine-2,4-dione
CID 18124231
1-(2-phenyl-1H-indol-3-yl)-2-(5-phenyltetrazol-2-yl)ethanone
CID 7277959
6-amino-1-cyclopropyl-5-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
CID 9261805
6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(5-phenyltetrazol-2-yl)acetyl]pyrimidine-2,4-dione
CID 78788514
6-amino-1-cyclopropyl-5-(2-quinolin-2-ylsulfanylacetyl)pyrimidine-2,4-dione
CID 9360293
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563
6-amino-1-cyclopropyl-5-[2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione
CID 25341475
6-amino-1-cyclopropyl-5-[2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrimidine-2,4-dione
CID 34788383
6-amino-1-cyclopropyl-5-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione
CID 9467636
6-amino-1-cyclopropyl-5-[2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione
CID 24518374
N-(dicyclopropylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 29466684

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-cyclopropyl-5-[2-(5-phenyltetrazol-2-yl)acetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-cyclopropyl-5-[2-(5-phenyltetrazol-2-yl)acetyl]pyrimidine-2,4-dione (CID 38846872) is 6-amino-1-cyclopropyl-5-[2-(5-phenyltetrazol-2-yl)acetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-cyclopropyl-5-[2-(5-phenyltetrazol-2-yl)acetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-cyclopropyl-5-[2-(5-phenyltetrazol-2-yl)acetyl]pyrimidine-2,4-dione is Nc1c(C(=O)Cn2nnc(-c3ccccc3)n2)c(=O)[nH]c(=O)n1C1CC1.
What is the InChIKey of 6-amino-1-cyclopropyl-5-[2-(5-phenyltetrazol-2-yl)acetyl]pyrimidine-2,4-dione?
The InChIKey is DKJJHJXNHVHDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O3/c17-13-12(15(25)18-16(26)23(13)10-6-7-10)11(24)8-22-20-14(19-21-22)9-4-2-1-3-5-9/h1-5,10H,6-8,17H2,(H,18,25,26).
What are the key properties of 6-amino-1-cyclopropyl-5-[2-(5-phenyltetrazol-2-yl)acetyl]pyrimidine-2,4-dione?
6-amino-1-cyclopropyl-5-[2-(5-phenyltetrazol-2-yl)acetyl]pyrimidine-2,4-dione has a molecular weight of 353.34 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-cyclopropyl-5-[2-(5-phenyltetrazol-2-yl)acetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 38846872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).