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

C15H22N4O4 — CID 135109655

IUPACN-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESC[C@@]1(NC(=O)c2cnc[nH]c2=O)CCOC2(CCNCC2)[C@H]1O
InChIInChI=1S/C15H22N4O4/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)/t13-,14+/m0/s1
InChIKeyCCPMAGCFNVWGCQ-UONOGXRCSA-N
MW322.37 g/mol
LogP-0.84
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

N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 135109655) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 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.

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
PubChem CID135109655
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC NameN-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESC[C@@]1(NC(=O)c2cnc[nH]c2=O)CCOC2(CCNCC2)[C@H]1O
InChIInChI=1S/C15H22N4O4/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)/t13-,14+/m0/s1
InChIKeyCCPMAGCFNVWGCQ-UONOGXRCSA-N
XLogP-0.84
TPSA116.34 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 5-0.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

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
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?
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 (CID 135109655) is N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide.
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?
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 is C[C@@]1(NC(=O)c2cnc[nH]c2=O)CCOC2(CCNCC2)[C@H]1O.
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?
The InChIKey is CCPMAGCFNVWGCQ-UONOGXRCSA-N. The full InChI is InChI=1S/C15H22N4O4/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)/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?
N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 322.37 g/mol, XLogP of -0.84, 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 is sourced from PubChem (CID 135109655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).