tert-butyl (4R)-1-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,8-diazaspiro[3.5]nonane-8-carboxylate

C18H26N4O5 — CID 164642570

IUPACtert-butyl (4R)-1-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,8-diazaspiro[3.5]nonane-8-carboxylate
SMILESCn1c(=O)[nH]cc(C(=O)N2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)c1=O
InChIInChI=1S/C18H26N4O5/c1-17(2,3)27-16(26)21-8-5-6-18(11-21)7-9-22(18)14(24)12-10-19-15(25)20(4)13(12)23/h10H,5-9,11H2,1-4H3,(H,19,25)/t18-/m1/s1
InChIKeyBYRFGFVBPPNXSS-GOSISDBHSA-N
MW378.43 g/mol
LogP0.69
Rot. Bonds1

About tert-butyl (4R)-1-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,8-diazaspiro[3.5]nonane-8-carboxylate

tert-butyl (4R)-1-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,8-diazaspiro[3.5]nonane-8-carboxylate (PubChem CID 164642570) has the molecular formula C18H26N4O5 and a molecular weight of 378.43 g/mol. Its IUPAC name is tert-butyl (4R)-1-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,8-diazaspiro[3.5]nonane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-1-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,8-diazaspiro[3.5]nonane-8-carboxylate
PubChem CID164642570
Molecular FormulaC18H26N4O5
Molecular Weight378.43 g/mol
Exact Mass378.19
IUPAC Nametert-butyl (4R)-1-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,8-diazaspiro[3.5]nonane-8-carboxylate
SMILESCn1c(=O)[nH]cc(C(=O)N2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)c1=O
InChIInChI=1S/C18H26N4O5/c1-17(2,3)27-16(26)21-8-5-6-18(11-21)7-9-22(18)14(24)12-10-19-15(25)20(4)13(12)23/h10H,5-9,11H2,1-4H3,(H,19,25)/t18-/m1/s1
InChIKeyBYRFGFVBPPNXSS-GOSISDBHSA-N
XLogP0.69
TPSA104.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-1-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,8-diazaspiro[3.5]nonane-8-carboxylate?
The IUPAC name of tert-butyl (4R)-1-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,8-diazaspiro[3.5]nonane-8-carboxylate (CID 164642570) is tert-butyl (4R)-1-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,8-diazaspiro[3.5]nonane-8-carboxylate.
What is the SMILES notation for tert-butyl (4R)-1-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,8-diazaspiro[3.5]nonane-8-carboxylate?
The canonical SMILES for tert-butyl (4R)-1-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,8-diazaspiro[3.5]nonane-8-carboxylate is Cn1c(=O)[nH]cc(C(=O)N2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)c1=O.
What is the InChIKey of tert-butyl (4R)-1-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,8-diazaspiro[3.5]nonane-8-carboxylate?
The InChIKey is BYRFGFVBPPNXSS-GOSISDBHSA-N. The full InChI is InChI=1S/C18H26N4O5/c1-17(2,3)27-16(26)21-8-5-6-18(11-21)7-9-22(18)14(24)12-10-19-15(25)20(4)13(12)23/h10H,5-9,11H2,1-4H3,(H,19,25)/t18-/m1/s1.
What are the key properties of tert-butyl (4R)-1-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,8-diazaspiro[3.5]nonane-8-carboxylate?
tert-butyl (4R)-1-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,8-diazaspiro[3.5]nonane-8-carboxylate has a molecular weight of 378.43 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-1-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,8-diazaspiro[3.5]nonane-8-carboxylate is sourced from PubChem (CID 164642570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).