1-[[2-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]tetrazol-5-yl]methyl]-N,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide

C18H21N7O4 — CID 163451224

IUPAC1-[[2-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]tetrazol-5-yl]methyl]-N,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCNC(=O)c1cn(Cc2nnn(C[C@H](O)c3ccc(C)cc3)n2)c(=O)n(C)c1=O
InChIInChI=1S/C18H21N7O4/c1-11-4-6-12(7-5-11)14(26)9-25-21-15(20-22-25)10-24-8-13(16(27)19-2)17(28)23(3)18(24)29/h4-8,14,26H,9-10H2,1-3H3,(H,19,27)/t14-/m0/s1
InChIKeyBPTGGQCMSIQZSF-AWEZNQCLSA-N
MW399.41 g/mol
LogP-1.02
Rot. Bonds6

About 1-[[2-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]tetrazol-5-yl]methyl]-N,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide

1-[[2-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]tetrazol-5-yl]methyl]-N,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 163451224) has the molecular formula C18H21N7O4 and a molecular weight of 399.41 g/mol. Its IUPAC name is 1-[[2-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]tetrazol-5-yl]methyl]-N,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-[[2-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]tetrazol-5-yl]methyl]-N,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
PubChem CID163451224
Molecular FormulaC18H21N7O4
Molecular Weight399.41 g/mol
Exact Mass399.17
IUPAC Name1-[[2-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]tetrazol-5-yl]methyl]-N,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCNC(=O)c1cn(Cc2nnn(C[C@H](O)c3ccc(C)cc3)n2)c(=O)n(C)c1=O
InChIInChI=1S/C18H21N7O4/c1-11-4-6-12(7-5-11)14(26)9-25-21-15(20-22-25)10-24-8-13(16(27)19-2)17(28)23(3)18(24)29/h4-8,14,26H,9-10H2,1-3H3,(H,19,27)/t14-/m0/s1
InChIKeyBPTGGQCMSIQZSF-AWEZNQCLSA-N
XLogP-1.02
TPSA136.93 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

1-[[2-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]tetrazol-5-yl]methyl]-N-(2,2-difluoroethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 162426002
1-[[2-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 162426008
1-[[2-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]tetrazol-5-yl]methyl]-3-(2-methylpropyl)-2,4-dioxopyrimidine-5-carboxamide
CID 163595091
N-(2,2-difluoroethyl)-1-[[2-[(2R)-2-hydroxypropyl]tetrazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 163594672
1-[[2-[(2R)-2-hydroxypropyl]tetrazol-5-yl]methyl]-3-methyl-2,4-dioxo-N-(2-pyrazol-1-ylethyl)pyrimidine-5-carboxamide
CID 163594675
1-[[2-(2-hydroxyethyl)tetrazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 166926176
1-[[2-[(2S)-2-(5-chloro-1-benzofuran-2-yl)-2-hydroxyethyl]tetrazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 162426029
3-[[2-[(2S)-2-hydroxy-2-(5-methylthiophen-2-yl)ethyl]tetrazol-5-yl]methyl]-N,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 158470845
3-[[2-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]-4-oxothieno[2,3-d]pyrimidine-5-carboxamide
CID 164735257
3-[[2-[(2R)-2-(4-bromophenyl)-2-hydroxyethyl]tetrazol-5-yl]methyl]-5-methylpyrimido[4,5-b][1,4]oxazine-4,6-dione
CID 162510490
ethyl 1-[[2-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]tetrazol-5-yl]methyl]-2-hydroxy-3-methyl-4-oxo-2H-pyrimidine-5-carboxylate
CID 162426050
5-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91889270

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]tetrazol-5-yl]methyl]-N,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of 1-[[2-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]tetrazol-5-yl]methyl]-N,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide (CID 163451224) is 1-[[2-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]tetrazol-5-yl]methyl]-N,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for 1-[[2-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]tetrazol-5-yl]methyl]-N,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for 1-[[2-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]tetrazol-5-yl]methyl]-N,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide is CNC(=O)c1cn(Cc2nnn(C[C@H](O)c3ccc(C)cc3)n2)c(=O)n(C)c1=O.
What is the InChIKey of 1-[[2-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]tetrazol-5-yl]methyl]-N,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is BPTGGQCMSIQZSF-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N7O4/c1-11-4-6-12(7-5-11)14(26)9-25-21-15(20-22-25)10-24-8-13(16(27)19-2)17(28)23(3)18(24)29/h4-8,14,26H,9-10H2,1-3H3,(H,19,27)/t14-/m0/s1.
What are the key properties of 1-[[2-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]tetrazol-5-yl]methyl]-N,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?
1-[[2-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]tetrazol-5-yl]methyl]-N,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 399.41 g/mol, XLogP of -1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]tetrazol-5-yl]methyl]-N,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 163451224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).