N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(4-hydroxyphenyl)acetamide

C17H19N3O2 — CID 75395364

IUPACN-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(4-hydroxyphenyl)acetamide
SMILESCc1ccnc(C(NC(=O)Cc2ccc(O)cc2)C2CC2)n1
InChIInChI=1S/C17H19N3O2/c1-11-8-9-18-17(19-11)16(13-4-5-13)20-15(22)10-12-2-6-14(21)7-3-12/h2-3,6-9,13,16,21H,4-5,10H2,1H3,(H,20,22)
InChIKeyIEMDBMKHYFYMLH-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.30
Rot. Bonds5

About N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(4-hydroxyphenyl)acetamide

N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(4-hydroxyphenyl)acetamide (PubChem CID 75395364) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(4-hydroxyphenyl)acetamide
PubChem CID75395364
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(4-hydroxyphenyl)acetamide
SMILESCc1ccnc(C(NC(=O)Cc2ccc(O)cc2)C2CC2)n1
InChIInChI=1S/C17H19N3O2/c1-11-8-9-18-17(19-11)16(13-4-5-13)20-15(22)10-12-2-6-14(21)7-3-12/h2-3,6-9,13,16,21H,4-5,10H2,1H3,(H,20,22)
InChIKeyIEMDBMKHYFYMLH-UHFFFAOYSA-N
XLogP2.30
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(3,4-difluorophenyl)acetamide
CID 97330343
N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-hydroxybenzamide
CID 75444590
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]acetamide
CID 71905947
N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-5-methyloxolane-2-carboxamide
CID 84592973
N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-5-ethyl-4-methylfuran-2-carboxamide
CID 75437033
N-[(S)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2,4,5-trifluorobenzamide
CID 97251116
N-[(S)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 97251106
N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]morpholine-4-carboxamide
CID 75521863
N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2,4,5-trifluorobenzamide
CID 75395373
N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 97335420
N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 75444474
N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 84593131

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(4-hydroxyphenyl)acetamide?
The IUPAC name of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(4-hydroxyphenyl)acetamide (CID 75395364) is N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(4-hydroxyphenyl)acetamide is Cc1ccnc(C(NC(=O)Cc2ccc(O)cc2)C2CC2)n1.
What is the InChIKey of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(4-hydroxyphenyl)acetamide?
The InChIKey is IEMDBMKHYFYMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-11-8-9-18-17(19-11)16(13-4-5-13)20-15(22)10-12-2-6-14(21)7-3-12/h2-3,6-9,13,16,21H,4-5,10H2,1H3,(H,20,22).
What are the key properties of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(4-hydroxyphenyl)acetamide?
N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(4-hydroxyphenyl)acetamide has a molecular weight of 297.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 75395364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).