3-[[cyclopropylmethyl-(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]phenol

C18H23N3O — CID 133472864

IUPAC3-[[cyclopropylmethyl-(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]phenol
SMILESCCc1cc(N(Cc2cccc(O)c2)CC2CC2)nc(C)n1
InChIInChI=1S/C18H23N3O/c1-3-16-10-18(20-13(2)19-16)21(11-14-7-8-14)12-15-5-4-6-17(22)9-15/h4-6,9-10,14,22H,3,7-8,11-12H2,1-2H3
InChIKeyYLIGEOHINKMOQI-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.47
Rot. Bonds6

About 3-[[cyclopropylmethyl-(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]phenol

3-[[cyclopropylmethyl-(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]phenol (PubChem CID 133472864) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-[[cyclopropylmethyl-(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]phenol.

Molecular Properties

Compound Name3-[[cyclopropylmethyl-(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]phenol
PubChem CID133472864
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name3-[[cyclopropylmethyl-(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]phenol
SMILESCCc1cc(N(Cc2cccc(O)c2)CC2CC2)nc(C)n1
InChIInChI=1S/C18H23N3O/c1-3-16-10-18(20-13(2)19-16)21(11-14-7-8-14)12-15-5-4-6-17(22)9-15/h4-6,9-10,14,22H,3,7-8,11-12H2,1-2H3
InChIKeyYLIGEOHINKMOQI-UHFFFAOYSA-N
XLogP3.47
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropylmethyl-(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]phenol?
The IUPAC name of 3-[[cyclopropylmethyl-(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]phenol (CID 133472864) is 3-[[cyclopropylmethyl-(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]phenol.
What is the SMILES notation for 3-[[cyclopropylmethyl-(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]phenol?
The canonical SMILES for 3-[[cyclopropylmethyl-(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]phenol is CCc1cc(N(Cc2cccc(O)c2)CC2CC2)nc(C)n1.
What is the InChIKey of 3-[[cyclopropylmethyl-(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]phenol?
The InChIKey is YLIGEOHINKMOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-3-16-10-18(20-13(2)19-16)21(11-14-7-8-14)12-15-5-4-6-17(22)9-15/h4-6,9-10,14,22H,3,7-8,11-12H2,1-2H3.
What are the key properties of 3-[[cyclopropylmethyl-(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]phenol?
3-[[cyclopropylmethyl-(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]phenol has a molecular weight of 297.40 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropylmethyl-(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]phenol is sourced from PubChem (CID 133472864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).