N-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C15H21N3O4 — CID 99937245

IUPACN-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N[C@H]2CCOC3(CCOCC3)C2)c(=O)[nH]1
InChIInChI=1S/C15H21N3O4/c1-10-16-9-12(13(19)17-10)14(20)18-11-2-5-22-15(8-11)3-6-21-7-4-15/h9,11H,2-8H2,1H3,(H,18,20)(H,16,17,19)/t11-/m0/s1
InChIKeyRLBAYKNFJKZLEQ-NSHDSACASA-N
MW307.35 g/mol
LogP0.54
Rot. Bonds2

About N-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

N-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 99937245) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID99937245
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC NameN-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N[C@H]2CCOC3(CCOCC3)C2)c(=O)[nH]1
InChIInChI=1S/C15H21N3O4/c1-10-16-9-12(13(19)17-10)14(20)18-11-2-5-22-15(8-11)3-6-21-7-4-15/h9,11H,2-8H2,1H3,(H,18,20)(H,16,17,19)/t11-/m0/s1
InChIKeyRLBAYKNFJKZLEQ-NSHDSACASA-N
XLogP0.54
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-N-ethyl-4-hydroxy-2-methylpyrimidine-5-carboxamide
CID 72901479
N-1,9-dioxaspiro[5.5]undec-4-yl-2-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 77089022
N-[(4R)-2,2-dimethyloxan-4-yl]-N-ethyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 97138760
N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 97138761
N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 99937243
6-Amino-2-[2-(1,9-dioxaspiro[5.5]undec-4-ylamino)ethyl]pyrimidin-4-ol
CID 136232525
4-amino-2-[2-[[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]amino]ethyl]-1H-pyrimidin-6-one
CID 136834019
4-amino-2-[2-[[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]amino]ethyl]-1H-pyrimidin-6-one
CID 136834020
5-{[rel-(2R,4R)-4-hydroxy-2-isopropyl-1-oxa-9-azaspiro[5.5]undec-9-yl]carbonyl}-2-methyl-4(3H)-pyrimidinone
CID 154564767

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 99937245) is N-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is Cc1ncc(C(=O)N[C@H]2CCOC3(CCOCC3)C2)c(=O)[nH]1.
What is the InChIKey of N-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is RLBAYKNFJKZLEQ-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N3O4/c1-10-16-9-12(13(19)17-10)14(20)18-11-2-5-22-15(8-11)3-6-21-7-4-15/h9,11H,2-8H2,1H3,(H,18,20)(H,16,17,19)/t11-/m0/s1.
What are the key properties of N-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 99937245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).