3-(2-hydroxyphenyl)-N-[(4-methylpyrimidin-2-yl)methyl]propanamide

C15H17N3O2 — CID 146109129

IUPAC3-(2-hydroxyphenyl)-N-[(4-methylpyrimidin-2-yl)methyl]propanamide
SMILESCc1ccnc(CNC(=O)CCc2ccccc2O)n1
InChIInChI=1S/C15H17N3O2/c1-11-8-9-16-14(18-11)10-17-15(20)7-6-12-4-2-3-5-13(12)19/h2-5,8-9,19H,6-7,10H2,1H3,(H,17,20)
InChIKeyDEXQPTVSRKTCIZ-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.74
Rot. Bonds5

About 3-(2-hydroxyphenyl)-N-[(4-methylpyrimidin-2-yl)methyl]propanamide

3-(2-hydroxyphenyl)-N-[(4-methylpyrimidin-2-yl)methyl]propanamide (PubChem CID 146109129) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-N-[(4-methylpyrimidin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-N-[(4-methylpyrimidin-2-yl)methyl]propanamide
PubChem CID146109129
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-(2-hydroxyphenyl)-N-[(4-methylpyrimidin-2-yl)methyl]propanamide
SMILESCc1ccnc(CNC(=O)CCc2ccccc2O)n1
InChIInChI=1S/C15H17N3O2/c1-11-8-9-16-14(18-11)10-17-15(20)7-6-12-4-2-3-5-13(12)19/h2-5,8-9,19H,6-7,10H2,1H3,(H,17,20)
InChIKeyDEXQPTVSRKTCIZ-UHFFFAOYSA-N
XLogP1.74
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-Methyl-5-[4-(methylamino)phenyl]pyrimidin-4-yl]phenol
CID 135960785
2-(4-((2-Aminoethyl)amino)-6-methylpyrimidin-2-yl)phenol
CID 1925132
3-(2-hydroxyphenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 38542190
1-[(2-Hydroxyphenyl)methyl]-1-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
CID 45832196
2-(3-hydroxyphenyl)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide
CID 72006254
N-[4-[2-amino-4-(2-hydroxyphenyl)pyrimidin-5-yl]phenyl]-N-methylacetamide
CID 135960777
2-(2-Tert-butylpyrimidin-4-yl)phenol
CID 136152936
4-hydroxy-N-((1S*,3S*)-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}cyclopentyl)benzamide
CID 56883134
3-(4-hydroxyphenyl)-N-((1S*,3S*)-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}cyclopentyl)propanamide
CID 56883448
N-{4-[(Dimethylamino)methyl]-1-(pyrimidin-2-YL)pyrrolidin-3-YL}-3-(2-methoxyphenyl)propanamide
CID 91911060
(S)-3-cyclopropyl-N-((S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl)-3-(2-methylpyrimidin-5-yl)propanamide
CID 165405070
3-(2-Hydroxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 8010973

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-N-[(4-methylpyrimidin-2-yl)methyl]propanamide?
The IUPAC name of 3-(2-hydroxyphenyl)-N-[(4-methylpyrimidin-2-yl)methyl]propanamide (CID 146109129) is 3-(2-hydroxyphenyl)-N-[(4-methylpyrimidin-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(2-hydroxyphenyl)-N-[(4-methylpyrimidin-2-yl)methyl]propanamide?
The canonical SMILES for 3-(2-hydroxyphenyl)-N-[(4-methylpyrimidin-2-yl)methyl]propanamide is Cc1ccnc(CNC(=O)CCc2ccccc2O)n1.
What is the InChIKey of 3-(2-hydroxyphenyl)-N-[(4-methylpyrimidin-2-yl)methyl]propanamide?
The InChIKey is DEXQPTVSRKTCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-8-9-16-14(18-11)10-17-15(20)7-6-12-4-2-3-5-13(12)19/h2-5,8-9,19H,6-7,10H2,1H3,(H,17,20).
What are the key properties of 3-(2-hydroxyphenyl)-N-[(4-methylpyrimidin-2-yl)methyl]propanamide?
3-(2-hydroxyphenyl)-N-[(4-methylpyrimidin-2-yl)methyl]propanamide has a molecular weight of 271.32 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-N-[(4-methylpyrimidin-2-yl)methyl]propanamide is sourced from PubChem (CID 146109129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).