5-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane-11-carbonyl)-1H-pyrimidine-2,4-dione

C16H25N5O3 — CID 56749235

IUPAC5-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane-11-carbonyl)-1H-pyrimidine-2,4-dione
SMILESCN1CCC2(CC1)CN(C(=O)c1c[nH]c(=O)[nH]c1=O)CCCN2C
InChIInChI=1S/C16H25N5O3/c1-19-8-4-16(5-9-19)11-21(7-3-6-20(16)2)14(23)12-10-17-15(24)18-13(12)22/h10H,3-9,11H2,1-2H3,(H2,17,18,22,24)
InChIKeyAWWMNSTVPAHAGC-UHFFFAOYSA-N
MW335.41 g/mol
LogP-0.69
Rot. Bonds1

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

5-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane-11-carbonyl)-1H-pyrimidine-2,4-dione (PubChem CID 56749235) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 5-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane-11-carbonyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane-11-carbonyl)-1H-pyrimidine-2,4-dione
PubChem CID56749235
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name5-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane-11-carbonyl)-1H-pyrimidine-2,4-dione
SMILESCN1CCC2(CC1)CN(C(=O)c1c[nH]c(=O)[nH]c1=O)CCCN2C
InChIInChI=1S/C16H25N5O3/c1-19-8-4-16(5-9-19)11-21(7-3-6-20(16)2)14(23)12-10-17-15(24)18-13(12)22/h10H,3-9,11H2,1-2H3,(H2,17,18,22,24)
InChIKeyAWWMNSTVPAHAGC-UHFFFAOYSA-N
XLogP-0.69
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane-11-carbonyl)-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

1-methyl-2,4-dioxo-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 91771412
N-methyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide
CID 43602104
1,3-Dimethyl-5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]pyrimidine-2,4-dione
CID 43749005
5-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 55086294
5-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 55173923
5-[2-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodec-11-yl)-2-oxoethyl]pyrimidine-2,4(1H,3H)-dione
CID 56742503
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-{[4-(cyclopropylmethyl)-3-isopropyl-1,4-diazepan-1-yl]carbonyl}pyrimidine-2,4(1H,3H)-dione
CID 56868414
N-methyl-2,4-dioxo-N-{[1-(1-piperidinyl)cyclohexyl]methyl}-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
CID 56896504
2,4-dioxo-N-piperidin-4-yl-N-propyl-1H-pyrimidine-5-carboxamide
CID 60805577
N-ethyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide
CID 60805896
1,3-Dimethyl-5-[(2-piperidin-1-ylpropylamino)methyl]pyrimidine-2,4-dione
CID 61009604

Frequently Asked Questions

What is the IUPAC name of 5-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane-11-carbonyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane-11-carbonyl)-1H-pyrimidine-2,4-dione (CID 56749235) is 5-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane-11-carbonyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane-11-carbonyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane-11-carbonyl)-1H-pyrimidine-2,4-dione is CN1CCC2(CC1)CN(C(=O)c1c[nH]c(=O)[nH]c1=O)CCCN2C.
What is the InChIKey of 5-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane-11-carbonyl)-1H-pyrimidine-2,4-dione?
The InChIKey is AWWMNSTVPAHAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-19-8-4-16(5-9-19)11-21(7-3-6-20(16)2)14(23)12-10-17-15(24)18-13(12)22/h10H,3-9,11H2,1-2H3,(H2,17,18,22,24).
What are the key properties of 5-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane-11-carbonyl)-1H-pyrimidine-2,4-dione?
5-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane-11-carbonyl)-1H-pyrimidine-2,4-dione has a molecular weight of 335.41 g/mol, XLogP of -0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane-11-carbonyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 56749235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).