[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-ylpyrimidin-4-yl]methanamine

C15H26N4O — CID 62321625

IUPAC[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-ylpyrimidin-4-yl]methanamine
SMILESCC(C)c1ncc(OCCC2CCCN2C)c(CN)n1
InChIInChI=1S/C15H26N4O/c1-11(2)15-17-10-14(13(9-16)18-15)20-8-6-12-5-4-7-19(12)3/h10-12H,4-9,16H2,1-3H3
InChIKeyKGHJMRFXMGDPEX-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.92
Rot. Bonds6

About [5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-ylpyrimidin-4-yl]methanamine

[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-ylpyrimidin-4-yl]methanamine (PubChem CID 62321625) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is [5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-ylpyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-ylpyrimidin-4-yl]methanamine
PubChem CID62321625
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-ylpyrimidin-4-yl]methanamine
SMILESCC(C)c1ncc(OCCC2CCCN2C)c(CN)n1
InChIInChI=1S/C15H26N4O/c1-11(2)15-17-10-14(13(9-16)18-15)20-8-6-12-5-4-7-19(12)3/h10-12H,4-9,16H2,1-3H3
InChIKeyKGHJMRFXMGDPEX-UHFFFAOYSA-N
XLogP1.92
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-ylpyrimidin-4-yl]methanamine?
The IUPAC name of [5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-ylpyrimidin-4-yl]methanamine (CID 62321625) is [5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-ylpyrimidin-4-yl]methanamine.
What is the SMILES notation for [5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-ylpyrimidin-4-yl]methanamine?
The canonical SMILES for [5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-ylpyrimidin-4-yl]methanamine is CC(C)c1ncc(OCCC2CCCN2C)c(CN)n1.
What is the InChIKey of [5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-ylpyrimidin-4-yl]methanamine?
The InChIKey is KGHJMRFXMGDPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11(2)15-17-10-14(13(9-16)18-15)20-8-6-12-5-4-7-19(12)3/h10-12H,4-9,16H2,1-3H3.
What are the key properties of [5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-ylpyrimidin-4-yl]methanamine?
[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-ylpyrimidin-4-yl]methanamine has a molecular weight of 278.40 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-ylpyrimidin-4-yl]methanamine is sourced from PubChem (CID 62321625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).