5-[2-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione

C17H27N5O3 — CID 56742503

IUPAC5-[2-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCN1CCC2(CC1)CN(C(=O)Cc1c[nH]c(=O)[nH]c1=O)CCCN2C
InChIInChI=1S/C17H27N5O3/c1-20-8-4-17(5-9-20)12-22(7-3-6-21(17)2)14(23)10-13-11-18-16(25)19-15(13)24/h11H,3-10,12H2,1-2H3,(H2,18,19,24,25)
InChIKeyJZIDKASICUMCTN-UHFFFAOYSA-N
MW349.44 g/mol
LogP-0.77
Rot. Bonds2

About 5-[2-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione

5-[2-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 56742503) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 5-[2-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID56742503
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name5-[2-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCN1CCC2(CC1)CN(C(=O)Cc1c[nH]c(=O)[nH]c1=O)CCCN2C
InChIInChI=1S/C17H27N5O3/c1-20-8-4-17(5-9-20)12-22(7-3-6-21(17)2)14(23)10-13-11-18-16(25)19-15(13)24/h11H,3-10,12H2,1-2H3,(H2,18,19,24,25)
InChIKeyJZIDKASICUMCTN-UHFFFAOYSA-N
XLogP-0.77
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodec-11-yl)carbonyl]pyrimidine-2,4(1H,3H)-dione
CID 56749235
3-methyl-5-[2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 56753580
5-{2-[4-(cyclopropylmethyl)-3-isopropyl-1,4-diazepan-1-yl]-2-oxoethyl}-3-methylpyrimidine-2,4(1H,3H)-dione
CID 56862994
5-[2-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 56869843
N-{(1S*,2R*)-2-[(1-acetyl-4-piperidinyl)amino]cyclobutyl}-2-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)acetamide
CID 56897265
2-(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-N-methyl-N-{[1-(1-piperidinyl)cyclohexyl]methyl}acetamide
CID 56915461
5-(2-{4-[1-(dimethylamino)ethyl]-1-piperidinyl}-2-oxoethyl)-2,4(1H,3H)-pyrimidinedione
CID 70712443
5-[2-(3-amino-1-azepanyl)-2-oxoethyl]-3-methyl-2,4(1H,3H)-pyrimidinedione hydrochloride
CID 70752201
(1R*,5R*)-N,N-dimethyl-6-[(3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)acetyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 72896948
3-methyl-5-[2-[(1R,5R)-6-(3-methylbut-2-enyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 72914625
5-Methyl-1-[2-(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 72939890
5-[2-(1-methyl-10-oxo-1,4,9-triazaspiro[5.6]dodec-4-yl)-2-oxoethyl]-2,4(1H,3H)-pyrimidinedione
CID 72941252

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 56742503) is 5-[2-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione is CN1CCC2(CC1)CN(C(=O)Cc1c[nH]c(=O)[nH]c1=O)CCCN2C.
What is the InChIKey of 5-[2-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is JZIDKASICUMCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-20-8-4-17(5-9-20)12-22(7-3-6-21(17)2)14(23)10-13-11-18-16(25)19-15(13)24/h11H,3-10,12H2,1-2H3,(H2,18,19,24,25).
What are the key properties of 5-[2-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
5-[2-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 349.44 g/mol, XLogP of -0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 56742503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).