1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-N-(2-methoxyethyl)-3,3-dimethylazetidine-2-carboxamide;methanol

C16H29N5O3 — CID 177055293

IUPAC1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-N-(2-methoxyethyl)-3,3-dimethylazetidine-2-carboxamide;methanol
SMILESCO.COCCNC(=O)C1N(c2cc(CN)nc(C)n2)CC1(C)C
InChIInChI=1S/C15H25N5O2.CH4O/c1-10-18-11(8-16)7-12(19-10)20-9-15(2,3)13(20)14(21)17-5-6-22-4;1-2/h7,13H,5-6,8-9,16H2,1-4H3,(H,17,21);2H,1H3
InChIKeySOZJYBRIRYTCIR-UHFFFAOYSA-N
MW339.44 g/mol
LogP-0.17
Rot. Bonds6

About 1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-N-(2-methoxyethyl)-3,3-dimethylazetidine-2-carboxamide;methanol

1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-N-(2-methoxyethyl)-3,3-dimethylazetidine-2-carboxamide;methanol (PubChem CID 177055293) has the molecular formula C16H29N5O3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-N-(2-methoxyethyl)-3,3-dimethylazetidine-2-carboxamide;methanol.

Molecular Properties

Compound Name1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-N-(2-methoxyethyl)-3,3-dimethylazetidine-2-carboxamide;methanol
PubChem CID177055293
Molecular FormulaC16H29N5O3
Molecular Weight339.44 g/mol
Exact Mass339.23
IUPAC Name1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-N-(2-methoxyethyl)-3,3-dimethylazetidine-2-carboxamide;methanol
SMILESCO.COCCNC(=O)C1N(c2cc(CN)nc(C)n2)CC1(C)C
InChIInChI=1S/C15H25N5O2.CH4O/c1-10-18-11(8-16)7-12(19-10)20-9-15(2,3)13(20)14(21)17-5-6-22-4;1-2/h7,13H,5-6,8-9,16H2,1-4H3,(H,17,21);2H,1H3
InChIKeySOZJYBRIRYTCIR-UHFFFAOYSA-N
XLogP-0.17
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S,3aS,7aS)-1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 177055339
3-[4-[[6-[(2S,3aS,7aS)-2-(2-methoxyethylcarbamoyl)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-methylpyrimidin-4-yl]methylcarbamoyl]phenyl]prop-2-ynoic acid
CID 177054906
N-[2-[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]ethyl]acetamide
CID 56710970
N-(2-methoxyethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109364810
(2S,3aS,7aS)-N-(2-methoxyethyl)-1-[2-methyl-6-[[[4-(1-methylpyrazol-4-yl)benzoyl]amino]methyl]pyrimidin-4-yl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
CID 177055582
N-(2-methoxyethyl)-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109364861
6-(cyclohexylamino)-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide
CID 109363775
N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]cyclopropanecarboxamide
CID 90491744
N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]cyclobutanecarboxamide
CID 90492360
N-(2-methoxyethyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109364804
2-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]ethanamine
CID 56720263
N-(2-aminoethyl)-1-(6-methoxy-2-methylpyrimidin-4-yl)piperidine-3-carboxamide
CID 66333680

Frequently Asked Questions

What is the IUPAC name of 1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-N-(2-methoxyethyl)-3,3-dimethylazetidine-2-carboxamide;methanol?
The IUPAC name of 1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-N-(2-methoxyethyl)-3,3-dimethylazetidine-2-carboxamide;methanol (CID 177055293) is 1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-N-(2-methoxyethyl)-3,3-dimethylazetidine-2-carboxamide;methanol.
What is the SMILES notation for 1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-N-(2-methoxyethyl)-3,3-dimethylazetidine-2-carboxamide;methanol?
The canonical SMILES for 1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-N-(2-methoxyethyl)-3,3-dimethylazetidine-2-carboxamide;methanol is CO.COCCNC(=O)C1N(c2cc(CN)nc(C)n2)CC1(C)C.
What is the InChIKey of 1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-N-(2-methoxyethyl)-3,3-dimethylazetidine-2-carboxamide;methanol?
The InChIKey is SOZJYBRIRYTCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2.CH4O/c1-10-18-11(8-16)7-12(19-10)20-9-15(2,3)13(20)14(21)17-5-6-22-4;1-2/h7,13H,5-6,8-9,16H2,1-4H3,(H,17,21);2H,1H3.
What are the key properties of 1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-N-(2-methoxyethyl)-3,3-dimethylazetidine-2-carboxamide;methanol?
1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-N-(2-methoxyethyl)-3,3-dimethylazetidine-2-carboxamide;methanol has a molecular weight of 339.44 g/mol, XLogP of -0.17, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-N-(2-methoxyethyl)-3,3-dimethylazetidine-2-carboxamide;methanol is sourced from PubChem (CID 177055293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).