(2R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide

C19H24N8O3 — CID 40794418

IUPAC(2R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESCCCCn1c(N)c(N(C)C(=O)[C@@H](Cc2ccccc2)n2cnnn2)c(=O)[nH]c1=O
InChIInChI=1S/C19H24N8O3/c1-3-4-10-26-16(20)15(17(28)22-19(26)30)25(2)18(29)14(27-12-21-23-24-27)11-13-8-6-5-7-9-13/h5-9,12,14H,3-4,10-11,20H2,1-2H3,(H,22,28,30)/t14-/m1/s1
InChIKeyVCEGGGDZLKTRHJ-CQSZACIVSA-N
MW412.45 g/mol
LogP0.35
Rot. Bonds8

About (2R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide

(2R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide (PubChem CID 40794418) has the molecular formula C19H24N8O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is (2R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide
PubChem CID40794418
Molecular FormulaC19H24N8O3
Molecular Weight412.45 g/mol
Exact Mass412.20
IUPAC Name(2R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESCCCCn1c(N)c(N(C)C(=O)[C@@H](Cc2ccccc2)n2cnnn2)c(=O)[nH]c1=O
InChIInChI=1S/C19H24N8O3/c1-3-4-10-26-16(20)15(17(28)22-19(26)30)25(2)18(29)14(27-12-21-23-24-27)11-13-8-6-5-7-9-13/h5-9,12,14H,3-4,10-11,20H2,1-2H3,(H,22,28,30)/t14-/m1/s1
InChIKeyVCEGGGDZLKTRHJ-CQSZACIVSA-N
XLogP0.35
TPSA144.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(1,2-diphenylethyl)acetamide
CID 55499880
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-4-phenylbutanamide
CID 55754269
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,3,5-trimethyl-1-phenylpyrazole-4-carboxamide
CID 9167061
1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-benzyl-3-propan-2-ylthiourea
CID 9093761
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-benzhydryl-N-methylacetamide
CID 55498315
N-hexyl-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51229398
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2-fluorophenyl)-N-methylacetamide
CID 8918069
(2R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 31852023
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-phenoxypropanamide
CID 29310095
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(2-methylphenyl)sulfanylacetamide
CID 29310183
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3-methylbut-2-enamide
CID 30659785
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 55339295

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide?
The IUPAC name of (2R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide (CID 40794418) is (2R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for (2R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for (2R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide is CCCCn1c(N)c(N(C)C(=O)[C@@H](Cc2ccccc2)n2cnnn2)c(=O)[nH]c1=O.
What is the InChIKey of (2R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide?
The InChIKey is VCEGGGDZLKTRHJ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N8O3/c1-3-4-10-26-16(20)15(17(28)22-19(26)30)25(2)18(29)14(27-12-21-23-24-27)11-13-8-6-5-7-9-13/h5-9,12,14H,3-4,10-11,20H2,1-2H3,(H,22,28,30)/t14-/m1/s1.
What are the key properties of (2R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide?
(2R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide has a molecular weight of 412.45 g/mol, XLogP of 0.35, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 40794418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).