N-(2-cyclobutyloxyethyl)acetamide;[7-(cyclopropylmethyl)-4-methoxypyrrolo[2,3-d]pyrimidin-5-yl]methanamine

C20H31N5O3 — CID 144830286

IUPACN-(2-cyclobutyloxyethyl)acetamide;[7-(cyclopropylmethyl)-4-methoxypyrrolo[2,3-d]pyrimidin-5-yl]methanamine
SMILESCC(=O)NCCOC1CCC1.COc1ncnc2c1c(CN)cn2CC1CC1
InChIInChI=1S/C12H16N4O.C8H15NO2/c1-17-12-10-9(4-13)6-16(5-8-2-3-8)11(10)14-7-15-12;1-7(10)9-5-6-11-8-3-2-4-8/h6-8H,2-5,13H2,1H3;8H,2-6H2,1H3,(H,9,10)
InChIKeyCRKLIBDZTDSGRY-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.00
Rot. Bonds8

About N-(2-cyclobutyloxyethyl)acetamide;[7-(cyclopropylmethyl)-4-methoxypyrrolo[2,3-d]pyrimidin-5-yl]methanamine

N-(2-cyclobutyloxyethyl)acetamide;[7-(cyclopropylmethyl)-4-methoxypyrrolo[2,3-d]pyrimidin-5-yl]methanamine (PubChem CID 144830286) has the molecular formula C20H31N5O3 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-(2-cyclobutyloxyethyl)acetamide;[7-(cyclopropylmethyl)-4-methoxypyrrolo[2,3-d]pyrimidin-5-yl]methanamine.

Molecular Properties

Compound NameN-(2-cyclobutyloxyethyl)acetamide;[7-(cyclopropylmethyl)-4-methoxypyrrolo[2,3-d]pyrimidin-5-yl]methanamine
PubChem CID144830286
Molecular FormulaC20H31N5O3
Molecular Weight389.50 g/mol
Exact Mass389.24
IUPAC NameN-(2-cyclobutyloxyethyl)acetamide;[7-(cyclopropylmethyl)-4-methoxypyrrolo[2,3-d]pyrimidin-5-yl]methanamine
SMILESCC(=O)NCCOC1CCC1.COc1ncnc2c1c(CN)cn2CC1CC1
InChIInChI=1S/C12H16N4O.C8H15NO2/c1-17-12-10-9(4-13)6-16(5-8-2-3-8)11(10)14-7-15-12;1-7(10)9-5-6-11-8-3-2-4-8/h6-8H,2-5,13H2,1H3;8H,2-6H2,1H3,(H,9,10)
InChIKeyCRKLIBDZTDSGRY-UHFFFAOYSA-N
XLogP2.00
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(cyclopropylmethoxy)pyrimidin-4-yl]oxymethyl]cyclobutyl]oxyethyl]acetamide
CID 154947029
2-cyclohexyloxy-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine
CID 63824614
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-cycloheptyloxyethyl)-1-methylimidazole-4-carboxamide
CID 136516341
N-[2-(4-aminocyclohexyl)oxyethyl]-2-(3-methyl-2-pyridinyl)acetamide
CID 107148439
2-amino-N-(2-cyclopentyloxyethyl)pentanamide
CID 63827048
2-amino-N-(2-cyclopentyloxyethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119737689
(2R)-2-amino-N-(2-cyclopentyloxyethyl)pentanamide
CID 103795665
N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridine-4-carboxamide
CID 106753638
2-amino-N-(2-cyclopentyloxyethyl)-3-methylbutanamide
CID 63828819
N-(2-cyclohexyloxyethyl)-2-(cyclopropylmethylamino)acetamide
CID 63826704

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutyloxyethyl)acetamide;[7-(cyclopropylmethyl)-4-methoxypyrrolo[2,3-d]pyrimidin-5-yl]methanamine?
The IUPAC name of N-(2-cyclobutyloxyethyl)acetamide;[7-(cyclopropylmethyl)-4-methoxypyrrolo[2,3-d]pyrimidin-5-yl]methanamine (CID 144830286) is N-(2-cyclobutyloxyethyl)acetamide;[7-(cyclopropylmethyl)-4-methoxypyrrolo[2,3-d]pyrimidin-5-yl]methanamine.
What is the SMILES notation for N-(2-cyclobutyloxyethyl)acetamide;[7-(cyclopropylmethyl)-4-methoxypyrrolo[2,3-d]pyrimidin-5-yl]methanamine?
The canonical SMILES for N-(2-cyclobutyloxyethyl)acetamide;[7-(cyclopropylmethyl)-4-methoxypyrrolo[2,3-d]pyrimidin-5-yl]methanamine is CC(=O)NCCOC1CCC1.COc1ncnc2c1c(CN)cn2CC1CC1.
What is the InChIKey of N-(2-cyclobutyloxyethyl)acetamide;[7-(cyclopropylmethyl)-4-methoxypyrrolo[2,3-d]pyrimidin-5-yl]methanamine?
The InChIKey is CRKLIBDZTDSGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O.C8H15NO2/c1-17-12-10-9(4-13)6-16(5-8-2-3-8)11(10)14-7-15-12;1-7(10)9-5-6-11-8-3-2-4-8/h6-8H,2-5,13H2,1H3;8H,2-6H2,1H3,(H,9,10).
What are the key properties of N-(2-cyclobutyloxyethyl)acetamide;[7-(cyclopropylmethyl)-4-methoxypyrrolo[2,3-d]pyrimidin-5-yl]methanamine?
N-(2-cyclobutyloxyethyl)acetamide;[7-(cyclopropylmethyl)-4-methoxypyrrolo[2,3-d]pyrimidin-5-yl]methanamine has a molecular weight of 389.50 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutyloxyethyl)acetamide;[7-(cyclopropylmethyl)-4-methoxypyrrolo[2,3-d]pyrimidin-5-yl]methanamine is sourced from PubChem (CID 144830286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).