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

C15H24N4O3 — CID 136834020

IUPAC4-amino-2-[2-[[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]amino]ethyl]-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(CCN[C@H]2CCOC3(CCOCC3)C2)n1
InChIInChI=1S/C15H24N4O3/c16-12-9-14(20)19-13(18-12)1-5-17-11-2-6-22-15(10-11)3-7-21-8-4-15/h9,11,17H,1-8,10H2,(H3,16,18,19,20)/t11-/m0/s1
InChIKeyIGBHYJKMJBTSJA-NSHDSACASA-N
MW308.38 g/mol
LogP0.21
Rot. Bonds4

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

4-amino-2-[2-[[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]amino]ethyl]-1H-pyrimidin-6-one (PubChem CID 136834020) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-amino-2-[2-[[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]amino]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-[2-[[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]amino]ethyl]-1H-pyrimidin-6-one
PubChem CID136834020
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name4-amino-2-[2-[[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]amino]ethyl]-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(CCN[C@H]2CCOC3(CCOCC3)C2)n1
InChIInChI=1S/C15H24N4O3/c16-12-9-14(20)19-13(18-12)1-5-17-11-2-6-22-15(10-11)3-7-21-8-4-15/h9,11,17H,1-8,10H2,(H3,16,18,19,20)/t11-/m0/s1
InChIKeyIGBHYJKMJBTSJA-NSHDSACASA-N
XLogP0.21
TPSA102.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-1,9-dioxaspiro[5.5]undec-4-yl-2-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 77089022
N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 99937243
N-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 99937245
6-Chloro-3-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylpyrimidin-4-one
CID 114581703
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
6-[(1,9-Dioxaspiro[5.5]undec-4-ylamino)methyl]-2-methylpyrimidin-4-ol
CID 136254132
4-[[[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-6-one
CID 136706718
4-[[[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-6-one
CID 136706719
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
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-amino-2-[2-[[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]amino]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-[2-[[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]amino]ethyl]-1H-pyrimidin-6-one (CID 136834020) is 4-amino-2-[2-[[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]amino]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-[2-[[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]amino]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-[2-[[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]amino]ethyl]-1H-pyrimidin-6-one is Nc1cc(=O)[nH]c(CCN[C@H]2CCOC3(CCOCC3)C2)n1.
What is the InChIKey of 4-amino-2-[2-[[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]amino]ethyl]-1H-pyrimidin-6-one?
The InChIKey is IGBHYJKMJBTSJA-NSHDSACASA-N. The full InChI is InChI=1S/C15H24N4O3/c16-12-9-14(20)19-13(18-12)1-5-17-11-2-6-22-15(10-11)3-7-21-8-4-15/h9,11,17H,1-8,10H2,(H3,16,18,19,20)/t11-/m0/s1.
What are the key properties of 4-amino-2-[2-[[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]amino]ethyl]-1H-pyrimidin-6-one?
4-amino-2-[2-[[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]amino]ethyl]-1H-pyrimidin-6-one has a molecular weight of 308.38 g/mol, XLogP of 0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-[[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]amino]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136834020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).