2-benzyl-N-[2-(5-methyloxolan-2-yl)ethyl]pyrimidin-4-amine

C18H23N3O — CID 166384238

IUPAC2-benzyl-N-[2-(5-methyloxolan-2-yl)ethyl]pyrimidin-4-amine
SMILESCC1CCC(CCNc2ccnc(Cc3ccccc3)n2)O1
InChIInChI=1S/C18H23N3O/c1-14-7-8-16(22-14)9-11-19-17-10-12-20-18(21-17)13-15-5-3-2-4-6-15/h2-6,10,12,14,16H,7-9,11,13H2,1H3,(H,19,20,21)
InChIKeyRXGFEPPEPQHBHQ-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.44
Rot. Bonds6

About 2-benzyl-N-[2-(5-methyloxolan-2-yl)ethyl]pyrimidin-4-amine

2-benzyl-N-[2-(5-methyloxolan-2-yl)ethyl]pyrimidin-4-amine (PubChem CID 166384238) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-benzyl-N-[2-(5-methyloxolan-2-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-benzyl-N-[2-(5-methyloxolan-2-yl)ethyl]pyrimidin-4-amine
PubChem CID166384238
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2-benzyl-N-[2-(5-methyloxolan-2-yl)ethyl]pyrimidin-4-amine
SMILESCC1CCC(CCNc2ccnc(Cc3ccccc3)n2)O1
InChIInChI=1S/C18H23N3O/c1-14-7-8-16(22-14)9-11-19-17-10-12-20-18(21-17)13-15-5-3-2-4-6-15/h2-6,10,12,14,16H,7-9,11,13H2,1H3,(H,19,20,21)
InChIKeyRXGFEPPEPQHBHQ-UHFFFAOYSA-N
XLogP3.44
TPSA47.04 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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[2-(5-methyloxolan-2-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-benzyl-N-[2-(5-methyloxolan-2-yl)ethyl]pyrimidin-4-amine (CID 166384238) is 2-benzyl-N-[2-(5-methyloxolan-2-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-benzyl-N-[2-(5-methyloxolan-2-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-benzyl-N-[2-(5-methyloxolan-2-yl)ethyl]pyrimidin-4-amine is CC1CCC(CCNc2ccnc(Cc3ccccc3)n2)O1.
What is the InChIKey of 2-benzyl-N-[2-(5-methyloxolan-2-yl)ethyl]pyrimidin-4-amine?
The InChIKey is RXGFEPPEPQHBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-14-7-8-16(22-14)9-11-19-17-10-12-20-18(21-17)13-15-5-3-2-4-6-15/h2-6,10,12,14,16H,7-9,11,13H2,1H3,(H,19,20,21).
What are the key properties of 2-benzyl-N-[2-(5-methyloxolan-2-yl)ethyl]pyrimidin-4-amine?
2-benzyl-N-[2-(5-methyloxolan-2-yl)ethyl]pyrimidin-4-amine has a molecular weight of 297.40 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[2-(5-methyloxolan-2-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 166384238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).