3-[4-(ethylamino)-6-(methoxymethyl)pyrimidin-2-yl]phenol

C14H17N3O2 — CID 62321190

IUPAC3-[4-(ethylamino)-6-(methoxymethyl)pyrimidin-2-yl]phenol
SMILESCCNc1cc(COC)nc(-c2cccc(O)c2)n1
InChIInChI=1S/C14H17N3O2/c1-3-15-13-8-11(9-19-2)16-14(17-13)10-5-4-6-12(18)7-10/h4-8,18H,3,9H2,1-2H3,(H,15,16,17)
InChIKeyRNYCJVQHLMPCDL-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.43
Rot. Bonds5

About 3-[4-(ethylamino)-6-(methoxymethyl)pyrimidin-2-yl]phenol

3-[4-(ethylamino)-6-(methoxymethyl)pyrimidin-2-yl]phenol (PubChem CID 62321190) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[4-(ethylamino)-6-(methoxymethyl)pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name3-[4-(ethylamino)-6-(methoxymethyl)pyrimidin-2-yl]phenol
PubChem CID62321190
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-[4-(ethylamino)-6-(methoxymethyl)pyrimidin-2-yl]phenol
SMILESCCNc1cc(COC)nc(-c2cccc(O)c2)n1
InChIInChI=1S/C14H17N3O2/c1-3-15-13-8-11(9-19-2)16-14(17-13)10-5-4-6-12(18)7-10/h4-8,18H,3,9H2,1-2H3,(H,15,16,17)
InChIKeyRNYCJVQHLMPCDL-UHFFFAOYSA-N
XLogP2.43
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(ethylamino)-6-(methoxymethyl)pyrimidin-2-yl]phenol?
The IUPAC name of 3-[4-(ethylamino)-6-(methoxymethyl)pyrimidin-2-yl]phenol (CID 62321190) is 3-[4-(ethylamino)-6-(methoxymethyl)pyrimidin-2-yl]phenol.
What is the SMILES notation for 3-[4-(ethylamino)-6-(methoxymethyl)pyrimidin-2-yl]phenol?
The canonical SMILES for 3-[4-(ethylamino)-6-(methoxymethyl)pyrimidin-2-yl]phenol is CCNc1cc(COC)nc(-c2cccc(O)c2)n1.
What is the InChIKey of 3-[4-(ethylamino)-6-(methoxymethyl)pyrimidin-2-yl]phenol?
The InChIKey is RNYCJVQHLMPCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-15-13-8-11(9-19-2)16-14(17-13)10-5-4-6-12(18)7-10/h4-8,18H,3,9H2,1-2H3,(H,15,16,17).
What are the key properties of 3-[4-(ethylamino)-6-(methoxymethyl)pyrimidin-2-yl]phenol?
3-[4-(ethylamino)-6-(methoxymethyl)pyrimidin-2-yl]phenol has a molecular weight of 259.31 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(ethylamino)-6-(methoxymethyl)pyrimidin-2-yl]phenol is sourced from PubChem (CID 62321190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).