N-[2-[3-[[5-chloro-6-(cyclopropylmethoxy)pyrimidin-4-yl]oxymethyl]cyclobutyl]oxyethyl]acetamide

C17H24ClN3O4 — CID 154947029

IUPACN-[2-[3-[[5-chloro-6-(cyclopropylmethoxy)pyrimidin-4-yl]oxymethyl]cyclobutyl]oxyethyl]acetamide
SMILESCC(=O)NCCOC1CC(COc2ncnc(OCC3CC3)c2Cl)C1
InChIInChI=1S/C17H24ClN3O4/c1-11(22)19-4-5-23-14-6-13(7-14)9-25-17-15(18)16(20-10-21-17)24-8-12-2-3-12/h10,12-14H,2-9H2,1H3,(H,19,22)
InChIKeyZMKXYIRUGUHKRK-UHFFFAOYSA-N
MW369.85 g/mol
LogP2.23
Rot. Bonds10

About N-[2-[3-[[5-chloro-6-(cyclopropylmethoxy)pyrimidin-4-yl]oxymethyl]cyclobutyl]oxyethyl]acetamide

N-[2-[3-[[5-chloro-6-(cyclopropylmethoxy)pyrimidin-4-yl]oxymethyl]cyclobutyl]oxyethyl]acetamide (PubChem CID 154947029) has the molecular formula C17H24ClN3O4 and a molecular weight of 369.85 g/mol. Its IUPAC name is N-[2-[3-[[5-chloro-6-(cyclopropylmethoxy)pyrimidin-4-yl]oxymethyl]cyclobutyl]oxyethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-[[5-chloro-6-(cyclopropylmethoxy)pyrimidin-4-yl]oxymethyl]cyclobutyl]oxyethyl]acetamide
PubChem CID154947029
Molecular FormulaC17H24ClN3O4
Molecular Weight369.85 g/mol
Exact Mass369.15
IUPAC NameN-[2-[3-[[5-chloro-6-(cyclopropylmethoxy)pyrimidin-4-yl]oxymethyl]cyclobutyl]oxyethyl]acetamide
SMILESCC(=O)NCCOC1CC(COc2ncnc(OCC3CC3)c2Cl)C1
InChIInChI=1S/C17H24ClN3O4/c1-11(22)19-4-5-23-14-6-13(7-14)9-25-17-15(18)16(20-10-21-17)24-8-12-2-3-12/h10,12-14H,2-9H2,1H3,(H,19,22)
InChIKeyZMKXYIRUGUHKRK-UHFFFAOYSA-N
XLogP2.23
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3-[[5-chloro-6-[(2Z,4E)-2,5-diamino-5-chloropenta-2,4-dienoxy]pyrimidin-4-yl]oxymethyl]cyclobutyl]oxyethyl]acetamide
CID 154946830
N-[2-[3-[(5-fluoro-6-phenylmethoxypyrimidin-4-yl)oxymethyl]cyclobutyl]oxyethyl]acetamide
CID 144830519
N-[2-[3-[[4-(4-fluorophenyl)-3-methoxy-2-pyridinyl]oxymethyl]cyclobutyl]oxyethyl]acetamide
CID 154946964
N-[(2S)-1-[3-[[3-chloro-4-(2-methoxyethoxy)-2-pyridinyl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
CID 122497759
N-(2-cyclobutyloxyethyl)acetamide;[7-(cyclopropylmethyl)-4-methoxypyrrolo[2,3-d]pyrimidin-5-yl]methanamine
CID 144830286
N-[(2S)-1-[3-[[6-[benzyl(methyl)amino]-5-chloropyrimidin-4-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
CID 122497894
N-[(2S)-1-[3-[[6-(1,3-benzoxazol-2-yl)-5-chloropyrimidin-4-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
CID 122497089
5-chloro-N-(2-cycloheptyloxyethyl)pyrimidine-4-carboxamide
CID 99775439
N-[(2S)-1-[3-[[5-fluoro-6-[(4-fluoro-2-pyridinyl)methoxy]pyrimidin-4-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
CID 122498053
5-chloro-6-(cyclopropylmethoxy)-N-methylpyridine-3-carboxamide
CID 75503604
N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridine-4-carboxamide
CID 106753638
N-[5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-3-pyridinyl]acetamide
CID 56961773

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[[5-chloro-6-(cyclopropylmethoxy)pyrimidin-4-yl]oxymethyl]cyclobutyl]oxyethyl]acetamide?
The IUPAC name of N-[2-[3-[[5-chloro-6-(cyclopropylmethoxy)pyrimidin-4-yl]oxymethyl]cyclobutyl]oxyethyl]acetamide (CID 154947029) is N-[2-[3-[[5-chloro-6-(cyclopropylmethoxy)pyrimidin-4-yl]oxymethyl]cyclobutyl]oxyethyl]acetamide.
What is the SMILES notation for N-[2-[3-[[5-chloro-6-(cyclopropylmethoxy)pyrimidin-4-yl]oxymethyl]cyclobutyl]oxyethyl]acetamide?
The canonical SMILES for N-[2-[3-[[5-chloro-6-(cyclopropylmethoxy)pyrimidin-4-yl]oxymethyl]cyclobutyl]oxyethyl]acetamide is CC(=O)NCCOC1CC(COc2ncnc(OCC3CC3)c2Cl)C1.
What is the InChIKey of N-[2-[3-[[5-chloro-6-(cyclopropylmethoxy)pyrimidin-4-yl]oxymethyl]cyclobutyl]oxyethyl]acetamide?
The InChIKey is ZMKXYIRUGUHKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O4/c1-11(22)19-4-5-23-14-6-13(7-14)9-25-17-15(18)16(20-10-21-17)24-8-12-2-3-12/h10,12-14H,2-9H2,1H3,(H,19,22).
What are the key properties of N-[2-[3-[[5-chloro-6-(cyclopropylmethoxy)pyrimidin-4-yl]oxymethyl]cyclobutyl]oxyethyl]acetamide?
N-[2-[3-[[5-chloro-6-(cyclopropylmethoxy)pyrimidin-4-yl]oxymethyl]cyclobutyl]oxyethyl]acetamide has a molecular weight of 369.85 g/mol, XLogP of 2.23, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[[5-chloro-6-(cyclopropylmethoxy)pyrimidin-4-yl]oxymethyl]cyclobutyl]oxyethyl]acetamide is sourced from PubChem (CID 154947029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).