2-methoxyethyl N-[3-[3-(pyrimidin-2-ylamino)propanoylamino]phenyl]carbamate

C17H21N5O4 — CID 47916523

IUPAC2-methoxyethyl N-[3-[3-(pyrimidin-2-ylamino)propanoylamino]phenyl]carbamate
SMILESCOCCOC(=O)Nc1cccc(NC(=O)CCNc2ncccn2)c1
InChIInChI=1S/C17H21N5O4/c1-25-10-11-26-17(24)22-14-5-2-4-13(12-14)21-15(23)6-9-20-16-18-7-3-8-19-16/h2-5,7-8,12H,6,9-11H2,1H3,(H,21,23)(H,22,24)(H,18,19,20)
InChIKeyRZXQDEGUQLGMLV-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.11
Rot. Bonds9

About 2-methoxyethyl N-[3-[3-(pyrimidin-2-ylamino)propanoylamino]phenyl]carbamate

2-methoxyethyl N-[3-[3-(pyrimidin-2-ylamino)propanoylamino]phenyl]carbamate (PubChem CID 47916523) has the molecular formula C17H21N5O4 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-methoxyethyl N-[3-[3-(pyrimidin-2-ylamino)propanoylamino]phenyl]carbamate.

Molecular Properties

Compound Name2-methoxyethyl N-[3-[3-(pyrimidin-2-ylamino)propanoylamino]phenyl]carbamate
PubChem CID47916523
Molecular FormulaC17H21N5O4
Molecular Weight359.39 g/mol
Exact Mass359.16
IUPAC Name2-methoxyethyl N-[3-[3-(pyrimidin-2-ylamino)propanoylamino]phenyl]carbamate
SMILESCOCCOC(=O)Nc1cccc(NC(=O)CCNc2ncccn2)c1
InChIInChI=1S/C17H21N5O4/c1-25-10-11-26-17(24)22-14-5-2-4-13(12-14)21-15(23)6-9-20-16-18-7-3-8-19-16/h2-5,7-8,12H,6,9-11H2,1H3,(H,21,23)(H,22,24)(H,18,19,20)
InChIKeyRZXQDEGUQLGMLV-UHFFFAOYSA-N
XLogP2.11
TPSA114.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.11
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

2-methoxyethyl N-[3-[3-(2,6-difluorophenyl)propanoylamino]phenyl]carbamate
CID 47741134
N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-(pyrimidin-2-ylamino)propanamide
CID 71708029
2-methoxyethyl N-[3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]carbamate
CID 47077792
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55702362
2-methoxyethyl N-[3-[[2-(furan-3-carbonylamino)acetyl]amino]phenyl]carbamate
CID 47934073
2-methoxyethyl N-(3-methylsulfanylphenyl)carbamate
CID 146357329
2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate
CID 176596945
2-methoxyethyl 4-oxo-4-[3-[(2-phenylacetyl)amino]anilino]butanoate
CID 17235638
2-methoxyethyl N-[3-[[2-(4-bromophenyl)-2-methylpropanoyl]amino]phenyl]carbamate
CID 60586585
2-methoxyethyl N-[3-[[(2R)-1-hydroxybutan-2-yl]carbamoylamino]phenyl]carbamate
CID 95583256
2-methoxyethyl N-(3,5-diaminophenyl)carbamate
CID 151276673
N-pyridin-4-yl-6-(pyrimidin-2-ylamino)hexanamide
CID 71708363

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-[3-[3-(pyrimidin-2-ylamino)propanoylamino]phenyl]carbamate?
The IUPAC name of 2-methoxyethyl N-[3-[3-(pyrimidin-2-ylamino)propanoylamino]phenyl]carbamate (CID 47916523) is 2-methoxyethyl N-[3-[3-(pyrimidin-2-ylamino)propanoylamino]phenyl]carbamate.
What is the SMILES notation for 2-methoxyethyl N-[3-[3-(pyrimidin-2-ylamino)propanoylamino]phenyl]carbamate?
The canonical SMILES for 2-methoxyethyl N-[3-[3-(pyrimidin-2-ylamino)propanoylamino]phenyl]carbamate is COCCOC(=O)Nc1cccc(NC(=O)CCNc2ncccn2)c1.
What is the InChIKey of 2-methoxyethyl N-[3-[3-(pyrimidin-2-ylamino)propanoylamino]phenyl]carbamate?
The InChIKey is RZXQDEGUQLGMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O4/c1-25-10-11-26-17(24)22-14-5-2-4-13(12-14)21-15(23)6-9-20-16-18-7-3-8-19-16/h2-5,7-8,12H,6,9-11H2,1H3,(H,21,23)(H,22,24)(H,18,19,20).
What are the key properties of 2-methoxyethyl N-[3-[3-(pyrimidin-2-ylamino)propanoylamino]phenyl]carbamate?
2-methoxyethyl N-[3-[3-(pyrimidin-2-ylamino)propanoylamino]phenyl]carbamate has a molecular weight of 359.39 g/mol, XLogP of 2.11, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-[3-[3-(pyrimidin-2-ylamino)propanoylamino]phenyl]carbamate is sourced from PubChem (CID 47916523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).