N,N-diethylethanamine;6-hydroxy-N-[4-[2-(oxan-2-yl)tetrazol-5-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

C23H32N8O5 — CID 122423595

IUPACN,N-diethylethanamine;6-hydroxy-N-[4-[2-(oxan-2-yl)tetrazol-5-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCCN(CC)CC.O=C(Nc1ccc(-c2nnn(C3CCCCO3)n2)cc1)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C17H17N7O5.C6H15N/c25-14(12-15(26)19-17(28)20-16(12)27)18-10-6-4-9(5-7-10)13-21-23-24(22-13)11-3-1-2-8-29-11;1-4-7(5-2)6-3/h4-7,11H,1-3,8H2,(H,18,25)(H3,19,20,26,27,28);4-6H2,1-3H3
InChIKeyGSUWVGYIMORZRO-UHFFFAOYSA-N
MW500.56 g/mol
LogP1.72
Rot. Bonds7

About N,N-diethylethanamine;6-hydroxy-N-[4-[2-(oxan-2-yl)tetrazol-5-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

N,N-diethylethanamine;6-hydroxy-N-[4-[2-(oxan-2-yl)tetrazol-5-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 122423595) has the molecular formula C23H32N8O5 and a molecular weight of 500.56 g/mol. Its IUPAC name is N,N-diethylethanamine;6-hydroxy-N-[4-[2-(oxan-2-yl)tetrazol-5-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,N-diethylethanamine;6-hydroxy-N-[4-[2-(oxan-2-yl)tetrazol-5-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID122423595
Molecular FormulaC23H32N8O5
Molecular Weight500.56 g/mol
Exact Mass500.25
IUPAC NameN,N-diethylethanamine;6-hydroxy-N-[4-[2-(oxan-2-yl)tetrazol-5-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCCN(CC)CC.O=C(Nc1ccc(-c2nnn(C3CCCCO3)n2)cc1)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C17H17N7O5.C6H15N/c25-14(12-15(26)19-17(28)20-16(12)27)18-10-6-4-9(5-7-10)13-21-23-24(22-13)11-3-1-2-8-29-11;1-4-7(5-2)6-3/h4-7,11H,1-3,8H2,(H,18,25)(H3,19,20,26,27,28);4-6H2,1-3H3
InChIKeyGSUWVGYIMORZRO-UHFFFAOYSA-N
XLogP1.72
TPSA171.12 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.56
LogP ≤ 51.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;6-hydroxy-N-[4-[2-(oxan-2-yl)tetrazol-5-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N,N-diethylethanamine;6-hydroxy-N-[4-[2-(oxan-2-yl)tetrazol-5-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 122423595) is N,N-diethylethanamine;6-hydroxy-N-[4-[2-(oxan-2-yl)tetrazol-5-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N,N-diethylethanamine;6-hydroxy-N-[4-[2-(oxan-2-yl)tetrazol-5-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N,N-diethylethanamine;6-hydroxy-N-[4-[2-(oxan-2-yl)tetrazol-5-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is CCN(CC)CC.O=C(Nc1ccc(-c2nnn(C3CCCCO3)n2)cc1)c1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of N,N-diethylethanamine;6-hydroxy-N-[4-[2-(oxan-2-yl)tetrazol-5-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is GSUWVGYIMORZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O5.C6H15N/c25-14(12-15(26)19-17(28)20-16(12)27)18-10-6-4-9(5-7-10)13-21-23-24(22-13)11-3-1-2-8-29-11;1-4-7(5-2)6-3/h4-7,11H,1-3,8H2,(H,18,25)(H3,19,20,26,27,28);4-6H2,1-3H3.
What are the key properties of N,N-diethylethanamine;6-hydroxy-N-[4-[2-(oxan-2-yl)tetrazol-5-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N,N-diethylethanamine;6-hydroxy-N-[4-[2-(oxan-2-yl)tetrazol-5-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 500.56 g/mol, XLogP of 1.72, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;6-hydroxy-N-[4-[2-(oxan-2-yl)tetrazol-5-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 122423595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).