N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride

C15H23ClN4O4 — CID 154915451

IUPACN-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride
SMILESC[C@@]1(NC(=O)c2cnc[nH]c2=O)CCOC2(CCNCC2)[C@H]1O.Cl
InChIInChI=1S/C15H22N4O4.ClH/c1-14(19-12(21)10-8-17-9-18-11(10)20)4-7-23-15(13(14)22)2-5-16-6-3-15;/h8-9,13,16,22H,2-7H2,1H3,(H,19,21)(H,17,18,20);1H/t13-,14+;/m0./s1
InChIKeyXRAABKUKLWCHBX-LMRHVHIWSA-N
MW358.83 g/mol
LogP-0.42
Rot. Bonds2

About N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride

N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride (PubChem CID 154915451) has the molecular formula C15H23ClN4O4 and a molecular weight of 358.83 g/mol. Its IUPAC name is N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride
PubChem CID154915451
Molecular FormulaC15H23ClN4O4
Molecular Weight358.83 g/mol
Exact Mass358.14
IUPAC NameN-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride
SMILESC[C@@]1(NC(=O)c2cnc[nH]c2=O)CCOC2(CCNCC2)[C@H]1O.Cl
InChIInChI=1S/C15H22N4O4.ClH/c1-14(19-12(21)10-8-17-9-18-11(10)20)4-7-23-15(13(14)22)2-5-16-6-3-15;/h8-9,13,16,22H,2-7H2,1H3,(H,19,21)(H,17,18,20);1H/t13-,14+;/m0./s1
InChIKeyXRAABKUKLWCHBX-LMRHVHIWSA-N
XLogP-0.42
TPSA116.34 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[rel-(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undec-4-yl]-6-oxo-1,6-dihydro-5-pyrimidinecarboxamide hydrochloride
CID 135109655
5-{[rel-(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undec-9-yl]carbonyl}-2-methyl-4(3H)-pyrimidinone formate
CID 165418245

Frequently Asked Questions

What is the IUPAC name of N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride?
The IUPAC name of N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride (CID 154915451) is N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride?
The canonical SMILES for N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride is C[C@@]1(NC(=O)c2cnc[nH]c2=O)CCOC2(CCNCC2)[C@H]1O.Cl.
What is the InChIKey of N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride?
The InChIKey is XRAABKUKLWCHBX-LMRHVHIWSA-N. The full InChI is InChI=1S/C15H22N4O4.ClH/c1-14(19-12(21)10-8-17-9-18-11(10)20)4-7-23-15(13(14)22)2-5-16-6-3-15;/h8-9,13,16,22H,2-7H2,1H3,(H,19,21)(H,17,18,20);1H/t13-,14+;/m0./s1.
What are the key properties of N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride?
N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride has a molecular weight of 358.83 g/mol, XLogP of -0.42, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride is sourced from PubChem (CID 154915451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).