3-[(4-methoxycyclohexyl)methyl]-1-methylpyrimido[4,5-d]pyridazine-2,4-dione

C15H20N4O3 — CID 134557397

IUPAC3-[(4-methoxycyclohexyl)methyl]-1-methylpyrimido[4,5-d]pyridazine-2,4-dione
SMILESCOC1CCC(Cn2c(=O)c3cnncc3n(C)c2=O)CC1
InChIInChI=1S/C15H20N4O3/c1-18-13-8-17-16-7-12(13)14(20)19(15(18)21)9-10-3-5-11(22-2)6-4-10/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyHKSDZJBLDFOZRU-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.70
Rot. Bonds3

About 3-[(4-methoxycyclohexyl)methyl]-1-methylpyrimido[4,5-d]pyridazine-2,4-dione

3-[(4-methoxycyclohexyl)methyl]-1-methylpyrimido[4,5-d]pyridazine-2,4-dione (PubChem CID 134557397) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-[(4-methoxycyclohexyl)methyl]-1-methylpyrimido[4,5-d]pyridazine-2,4-dione.

Molecular Properties

Compound Name3-[(4-methoxycyclohexyl)methyl]-1-methylpyrimido[4,5-d]pyridazine-2,4-dione
PubChem CID134557397
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name3-[(4-methoxycyclohexyl)methyl]-1-methylpyrimido[4,5-d]pyridazine-2,4-dione
SMILESCOC1CCC(Cn2c(=O)c3cnncc3n(C)c2=O)CC1
InChIInChI=1S/C15H20N4O3/c1-18-13-8-17-16-7-12(13)14(20)19(15(18)21)9-10-3-5-11(22-2)6-4-10/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyHKSDZJBLDFOZRU-UHFFFAOYSA-N
XLogP0.70
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(cyclopropylmethyl)-1-methylquinazoline-2,4-dione
CID 90714195
6-ethenyl-3-[(4-methoxycyclohexyl)methyl]-1-methyl-5-(methylideneamino)pyrimidine-2,4-dione
CID 134557401
(4-methoxycyclohexyl)methyl methanesulfonate;bis(3-[(4-methoxycyclohexyl)methyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione);1-methylpyrido[2,3-d]pyrimidine-2,4-dione
CID 162004796
6-bromo-1-[(4-methoxycyclohexyl)methyl]-3-phenylimidazo[4,5-b]pyridin-2-one
CID 67077691
1-[(4-aminocyclohexyl)methyl]-3-methylbenzimidazol-2-one
CID 67339990
8-chloro-1-(cyclopropylmethyl)-3,7-dimethylpurine-2,6-dione
CID 153298083
7-(cyclopropylmethyl)-3-methyl-1-[(4-oxocyclohexyl)methyl]purine-2,6-dione
CID 121279396
1-(cyclobutylmethyl)-3-methylbenzimidazol-2-one
CID 115761324
6-methoxy-1-methyl-3-(pyrrolidin-3-ylmethyl)quinazoline-2,4-dione
CID 117262554
3-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxamide
CID 10200588
8-chloro-1-(cyclopropylmethyl)-3-methyl-7H-purine-2,6-dione
CID 166290964
1-(cyclopropylmethyl)-3,7-dimethyl-8-methylsulfanylpurine-2,6-dione
CID 153298197

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxycyclohexyl)methyl]-1-methylpyrimido[4,5-d]pyridazine-2,4-dione?
The IUPAC name of 3-[(4-methoxycyclohexyl)methyl]-1-methylpyrimido[4,5-d]pyridazine-2,4-dione (CID 134557397) is 3-[(4-methoxycyclohexyl)methyl]-1-methylpyrimido[4,5-d]pyridazine-2,4-dione.
What is the SMILES notation for 3-[(4-methoxycyclohexyl)methyl]-1-methylpyrimido[4,5-d]pyridazine-2,4-dione?
The canonical SMILES for 3-[(4-methoxycyclohexyl)methyl]-1-methylpyrimido[4,5-d]pyridazine-2,4-dione is COC1CCC(Cn2c(=O)c3cnncc3n(C)c2=O)CC1.
What is the InChIKey of 3-[(4-methoxycyclohexyl)methyl]-1-methylpyrimido[4,5-d]pyridazine-2,4-dione?
The InChIKey is HKSDZJBLDFOZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-18-13-8-17-16-7-12(13)14(20)19(15(18)21)9-10-3-5-11(22-2)6-4-10/h7-8,10-11H,3-6,9H2,1-2H3.
What are the key properties of 3-[(4-methoxycyclohexyl)methyl]-1-methylpyrimido[4,5-d]pyridazine-2,4-dione?
3-[(4-methoxycyclohexyl)methyl]-1-methylpyrimido[4,5-d]pyridazine-2,4-dione has a molecular weight of 304.35 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxycyclohexyl)methyl]-1-methylpyrimido[4,5-d]pyridazine-2,4-dione is sourced from PubChem (CID 134557397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).