1-[4-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-2,5-dione

C17H24N4O3 — CID 133417652

IUPAC1-[4-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-2,5-dione
SMILESCOCc1nc(C)cc(NC2CCC(N3C(=O)CCC3=O)CC2)n1
InChIInChI=1S/C17H24N4O3/c1-11-9-14(20-15(18-11)10-24-2)19-12-3-5-13(6-4-12)21-16(22)7-8-17(21)23/h9,12-13H,3-8,10H2,1-2H3,(H,18,19,20)
InChIKeyCHLCGDBAQCLZGE-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.80
Rot. Bonds5

About 1-[4-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-2,5-dione

1-[4-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-2,5-dione (PubChem CID 133417652) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[4-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-2,5-dione
PubChem CID133417652
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name1-[4-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-2,5-dione
SMILESCOCc1nc(C)cc(NC2CCC(N3C(=O)CCC3=O)CC2)n1
InChIInChI=1S/C17H24N4O3/c1-11-9-14(20-15(18-11)10-24-2)19-12-3-5-13(6-4-12)21-16(22)7-8-17(21)23/h9,12-13H,3-8,10H2,1-2H3,(H,18,19,20)
InChIKeyCHLCGDBAQCLZGE-UHFFFAOYSA-N
XLogP1.80
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
CID 136529582
2-(methoxymethyl)-6-methyl-N-[(9S)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-4-amine
CID 97234627
1-[4-[(2,6-ditert-butylpyrimidin-4-yl)amino]cyclohexyl]pyrrolidine-2,5-dione
CID 133417725
2-(methoxymethyl)-6-methyl-N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]pyrimidin-4-amine
CID 98559254
cis-(1S,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclopentane-1-carboxylic acid
CID 138020678
6-chloro-N-cyclopentyl-2-(methoxymethyl)pyrimidin-4-amine
CID 82463145
1-(3,4-dichlorophenyl)-3-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]pyrrolidin-2-one
CID 133439004
2-[cyclopropylmethyl-[3-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclobutyl]amino]acetic acid
CID 122061382
N-(1-cyclobutylethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine
CID 133417857
(7R)-N-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-4,5,6,7-tetrahydro-1H-indazol-7-amine
CID 97231259
[(1R,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cycloheptyl]methanol
CID 97223315
N-cyclopropyl-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]piperidin-4-amine
CID 133381181

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-2,5-dione (CID 133417652) is 1-[4-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-2,5-dione is COCc1nc(C)cc(NC2CCC(N3C(=O)CCC3=O)CC2)n1.
What is the InChIKey of 1-[4-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-2,5-dione?
The InChIKey is CHLCGDBAQCLZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-11-9-14(20-15(18-11)10-24-2)19-12-3-5-13(6-4-12)21-16(22)7-8-17(21)23/h9,12-13H,3-8,10H2,1-2H3,(H,18,19,20).
What are the key properties of 1-[4-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-2,5-dione?
1-[4-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-2,5-dione has a molecular weight of 332.40 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 133417652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).