6-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane-11-carbonyl)-1H-pyrimidine-2,4-dione

C16H25N5O3 — CID 56742220

IUPAC6-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane-11-carbonyl)-1H-pyrimidine-2,4-dione
SMILESCN1CCC2(CC1)CN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)CCCN2C
InChIInChI=1S/C16H25N5O3/c1-19-8-4-16(5-9-19)11-21(7-3-6-20(16)2)14(23)12-10-13(22)18-15(24)17-12/h10H,3-9,11H2,1-2H3,(H2,17,18,22,24)
InChIKeyBMVLGGWGMISZAX-UHFFFAOYSA-N
MW335.41 g/mol
LogP-0.69
Rot. Bonds1

About 6-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane-11-carbonyl)-1H-pyrimidine-2,4-dione

6-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane-11-carbonyl)-1H-pyrimidine-2,4-dione (PubChem CID 56742220) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 6-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane-11-carbonyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane-11-carbonyl)-1H-pyrimidine-2,4-dione
PubChem CID56742220
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name6-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane-11-carbonyl)-1H-pyrimidine-2,4-dione
SMILESCN1CCC2(CC1)CN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)CCCN2C
InChIInChI=1S/C16H25N5O3/c1-19-8-4-16(5-9-19)11-21(7-3-6-20(16)2)14(23)12-10-13(22)18-15(24)17-12/h10H,3-9,11H2,1-2H3,(H2,17,18,22,24)
InChIKeyBMVLGGWGMISZAX-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 6-(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

6-{[4-(cyclopropylmethyl)-3-isopropyl-1,4-diazepan-1-yl]carbonyl}pyrimidine-2,4(1H,3H)-dione
CID 56873791
1-[2-[(4aS,9aS)-4a,5-dimethyl-2,3,4,6,7,8,9,9a-octahydropyrido[3,2-b]azepin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 155901236
1,3-dimethyl-N-({1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl}methyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide
CID 118779324
N-[(3R)-1-cycloheptylpiperidin-3-yl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
CID 26394923
N-[(3S)-1-cycloheptylpiperidin-3-yl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
CID 26394925
N-methyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-6-carboxamide
CID 43602147
N-(1-cycloheptyl-3-piperidinyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxamide
CID 45246943
6-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 55086149
6-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 55176062
2,6-dioxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1,2,3,6-tetrahydropyrimidine-4-carboxamide
CID 56711486
6-(2-methyl-2,7-diazaspiro[4.5]decane-7-carbonyl)-1H-pyrimidine-2,4-dione
CID 56753788
N-{(1S*,2R*)-2-[(1-ethyl-4-piperidinyl)amino]cyclobutyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxamide
CID 56884725

Frequently Asked Questions

What is the IUPAC name of 6-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane-11-carbonyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane-11-carbonyl)-1H-pyrimidine-2,4-dione (CID 56742220) is 6-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane-11-carbonyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane-11-carbonyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane-11-carbonyl)-1H-pyrimidine-2,4-dione is CN1CCC2(CC1)CN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)CCCN2C.
What is the InChIKey of 6-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane-11-carbonyl)-1H-pyrimidine-2,4-dione?
The InChIKey is BMVLGGWGMISZAX-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)12-10-13(22)18-15(24)17-12/h10H,3-9,11H2,1-2H3,(H2,17,18,22,24).
What are the key properties of 6-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane-11-carbonyl)-1H-pyrimidine-2,4-dione?
6-(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 6-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane-11-carbonyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 56742220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).