4-[[[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-6-one

C15H23N3O3 — CID 136706719

IUPAC4-[[[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(CN[C@H]2CCOC3(CCOCC3)C2)cc(=O)[nH]1
InChIInChI=1S/C15H23N3O3/c1-11-17-13(8-14(19)18-11)10-16-12-2-5-21-15(9-12)3-6-20-7-4-15/h8,12,16H,2-7,9-10H2,1H3,(H,17,18,19)/t12-/m0/s1
InChIKeyFEPPZXUQDFHKQC-LBPRGKRZSA-N
MW293.37 g/mol
LogP0.90
Rot. Bonds3

About 4-[[[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-6-one

4-[[[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136706719) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[[[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-6-one
PubChem CID136706719
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name4-[[[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(CN[C@H]2CCOC3(CCOCC3)C2)cc(=O)[nH]1
InChIInChI=1S/C15H23N3O3/c1-11-17-13(8-14(19)18-11)10-16-12-2-5-21-15(9-12)3-6-20-7-4-15/h8,12,16H,2-7,9-10H2,1H3,(H,17,18,19)/t12-/m0/s1
InChIKeyFEPPZXUQDFHKQC-LBPRGKRZSA-N
XLogP0.90
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

6-Amino-2-[2-(1,9-dioxaspiro[5.5]undec-4-ylamino)ethyl]pyrimidin-4-ol
CID 136232525
6-[2-(1,9-Dioxaspiro[5.5]undec-4-ylamino)ethyl]-2-methylpyrimidin-4-ol
CID 136233971
2-{[2-(1,9-dioxaspiro[5.5]undec-4-ylamino)ethyl]amino}-6-methylpyrimidin-4(3H)-one
CID 136239108
4-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
CID 136248646
6-[(1,9-Dioxaspiro[5.5]undec-4-ylamino)methyl]-2-methylpyrimidin-4-ol
CID 136254132
2-(oxan-3-yl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 136274259
4-[[[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-6-one
CID 136706718
4-[2-[[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]amino]ethyl]-2-methyl-1H-pyrimidin-6-one
CID 136799304
4-[2-[[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]amino]ethyl]-2-methyl-1H-pyrimidin-6-one
CID 136799305
2-[2-[[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]amino]ethylamino]-4-methyl-1H-pyrimidin-6-one
CID 136808425
2-[2-[[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]amino]ethylamino]-4-methyl-1H-pyrimidin-6-one
CID 136808426
4-amino-2-[2-[[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]amino]ethyl]-1H-pyrimidin-6-one
CID 136834019

Frequently Asked Questions

What is the IUPAC name of 4-[[[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[[[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-6-one (CID 136706719) is 4-[[[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-6-one is Cc1nc(CN[C@H]2CCOC3(CCOCC3)C2)cc(=O)[nH]1.
What is the InChIKey of 4-[[[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is FEPPZXUQDFHKQC-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11-17-13(8-14(19)18-11)10-16-12-2-5-21-15(9-12)3-6-20-7-4-15/h8,12,16H,2-7,9-10H2,1H3,(H,17,18,19)/t12-/m0/s1.
What are the key properties of 4-[[[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-6-one?
4-[[[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 293.37 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136706719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).