3-methyl-6-[methyl-[[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]amino]-1H-pyrimidine-2,4-dione;hydrochloride

C17H25ClN4O2S — CID 154782586

IUPAC3-methyl-6-[methyl-[[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]amino]-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCc1ccc(CN2CCC(CN(C)c3cc(=O)n(C)c(=O)[nH]3)C2)s1.Cl
InChIInChI=1S/C17H24N4O2S.ClH/c1-12-4-5-14(24-12)11-21-7-6-13(10-21)9-19(2)15-8-16(22)20(3)17(23)18-15;/h4-5,8,13H,6-7,9-11H2,1-3H3,(H,18,23);1H
InChIKeyMZPOVWGCQWSWSQ-UHFFFAOYSA-N
MW384.93 g/mol
LogP1.82
Rot. Bonds5

About 3-methyl-6-[methyl-[[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]amino]-1H-pyrimidine-2,4-dione;hydrochloride

3-methyl-6-[methyl-[[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]amino]-1H-pyrimidine-2,4-dione;hydrochloride (PubChem CID 154782586) has the molecular formula C17H25ClN4O2S and a molecular weight of 384.93 g/mol. Its IUPAC name is 3-methyl-6-[methyl-[[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]amino]-1H-pyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3-methyl-6-[methyl-[[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]amino]-1H-pyrimidine-2,4-dione;hydrochloride
PubChem CID154782586
Molecular FormulaC17H25ClN4O2S
Molecular Weight384.93 g/mol
Exact Mass384.14
IUPAC Name3-methyl-6-[methyl-[[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]amino]-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCc1ccc(CN2CCC(CN(C)c3cc(=O)n(C)c(=O)[nH]3)C2)s1.Cl
InChIInChI=1S/C17H24N4O2S.ClH/c1-12-4-5-14(24-12)11-21-7-6-13(10-21)9-19(2)15-8-16(22)20(3)17(23)18-15;/h4-5,8,13H,6-7,9-11H2,1-3H3,(H,18,23);1H
InChIKeyMZPOVWGCQWSWSQ-UHFFFAOYSA-N
XLogP1.82
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.93
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-6-[methyl-[[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]amino]-1H-pyrimidine-2,4-dione;hydrochloride with MolForge

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Related Compounds

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(3S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-ol
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N-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide
CID 58933544
4-methyl-1-[(5-methylthiophen-2-yl)methyl]piperidine
CID 71220628
3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]propanoic acid
CID 65062242
(3R)-3-methyl-1-[(5-methylthiophen-2-yl)methyl]piperazine
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(7S,9aR)-7-ethyl-2-[(5-methylthiophen-2-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56855888
(7R,9aR)-2-[(5-methylthiophen-2-yl)methyl]-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56854940
N-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[methyl-[[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]amino]-1H-pyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 3-methyl-6-[methyl-[[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]amino]-1H-pyrimidine-2,4-dione;hydrochloride (CID 154782586) is 3-methyl-6-[methyl-[[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]amino]-1H-pyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 3-methyl-6-[methyl-[[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]amino]-1H-pyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 3-methyl-6-[methyl-[[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]amino]-1H-pyrimidine-2,4-dione;hydrochloride is Cc1ccc(CN2CCC(CN(C)c3cc(=O)n(C)c(=O)[nH]3)C2)s1.Cl.
What is the InChIKey of 3-methyl-6-[methyl-[[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]amino]-1H-pyrimidine-2,4-dione;hydrochloride?
The InChIKey is MZPOVWGCQWSWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S.ClH/c1-12-4-5-14(24-12)11-21-7-6-13(10-21)9-19(2)15-8-16(22)20(3)17(23)18-15;/h4-5,8,13H,6-7,9-11H2,1-3H3,(H,18,23);1H.
What are the key properties of 3-methyl-6-[methyl-[[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]amino]-1H-pyrimidine-2,4-dione;hydrochloride?
3-methyl-6-[methyl-[[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]amino]-1H-pyrimidine-2,4-dione;hydrochloride has a molecular weight of 384.93 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[methyl-[[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]amino]-1H-pyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 154782586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).