4-[[cyclopropyl-[(2-ethylpyrimidin-5-yl)methyl]amino]methyl]phenol

C17H21N3O — CID 135106529

IUPAC4-[[cyclopropyl-[(2-ethylpyrimidin-5-yl)methyl]amino]methyl]phenol
SMILESCCc1ncc(CN(Cc2ccc(O)cc2)C2CC2)cn1
InChIInChI=1S/C17H21N3O/c1-2-17-18-9-14(10-19-17)12-20(15-5-6-15)11-13-3-7-16(21)8-4-13/h3-4,7-10,15,21H,2,5-6,11-12H2,1H3
InChIKeyZLNHHIHUYYYFML-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.91
Rot. Bonds6

About 4-[[cyclopropyl-[(2-ethylpyrimidin-5-yl)methyl]amino]methyl]phenol

4-[[cyclopropyl-[(2-ethylpyrimidin-5-yl)methyl]amino]methyl]phenol (PubChem CID 135106529) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-[[cyclopropyl-[(2-ethylpyrimidin-5-yl)methyl]amino]methyl]phenol.

Molecular Properties

Compound Name4-[[cyclopropyl-[(2-ethylpyrimidin-5-yl)methyl]amino]methyl]phenol
PubChem CID135106529
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4-[[cyclopropyl-[(2-ethylpyrimidin-5-yl)methyl]amino]methyl]phenol
SMILESCCc1ncc(CN(Cc2ccc(O)cc2)C2CC2)cn1
InChIInChI=1S/C17H21N3O/c1-2-17-18-9-14(10-19-17)12-20(15-5-6-15)11-13-3-7-16(21)8-4-13/h3-4,7-10,15,21H,2,5-6,11-12H2,1H3
InChIKeyZLNHHIHUYYYFML-UHFFFAOYSA-N
XLogP2.91
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[cyclopropyl-[(4-hydroxyphenyl)methyl]amino]methyl]-3-methylimidazole-4-carboxylic acid
CID 167836856
4-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
CID 102809822
4-[[2-chloroethyl(cyclobutyl)amino]methyl]phenol
CID 102861348
5-[[cyclopropyl-[(4-ethylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
CID 120898292
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-ethylphenyl)methyl]cyclopropanamine
CID 60500388
4-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63299452
2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetamide
CID 56812522
2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetic acid;hydrochloride
CID 170903356
4-[[ethyl(piperidin-3-yl)amino]methyl]phenol
CID 63643977
3-[[(6-chloro-3-pyridinyl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol
CID 111434936
2-[cyclopentyl-[(4-hydroxyphenyl)methyl]amino]acetamide
CID 82973746
N-[(6-chloro-3-pyridinyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61434645

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl-[(2-ethylpyrimidin-5-yl)methyl]amino]methyl]phenol?
The IUPAC name of 4-[[cyclopropyl-[(2-ethylpyrimidin-5-yl)methyl]amino]methyl]phenol (CID 135106529) is 4-[[cyclopropyl-[(2-ethylpyrimidin-5-yl)methyl]amino]methyl]phenol.
What is the SMILES notation for 4-[[cyclopropyl-[(2-ethylpyrimidin-5-yl)methyl]amino]methyl]phenol?
The canonical SMILES for 4-[[cyclopropyl-[(2-ethylpyrimidin-5-yl)methyl]amino]methyl]phenol is CCc1ncc(CN(Cc2ccc(O)cc2)C2CC2)cn1.
What is the InChIKey of 4-[[cyclopropyl-[(2-ethylpyrimidin-5-yl)methyl]amino]methyl]phenol?
The InChIKey is ZLNHHIHUYYYFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-17-18-9-14(10-19-17)12-20(15-5-6-15)11-13-3-7-16(21)8-4-13/h3-4,7-10,15,21H,2,5-6,11-12H2,1H3.
What are the key properties of 4-[[cyclopropyl-[(2-ethylpyrimidin-5-yl)methyl]amino]methyl]phenol?
4-[[cyclopropyl-[(2-ethylpyrimidin-5-yl)methyl]amino]methyl]phenol has a molecular weight of 283.38 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl-[(2-ethylpyrimidin-5-yl)methyl]amino]methyl]phenol is sourced from PubChem (CID 135106529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).