2-cyclopropyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine

C16H21N3O2 — CID 71970489

IUPAC2-cyclopropyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine
SMILESCOCCN(Cc1ccco1)c1cc(C)nc(C2CC2)n1
InChIInChI=1S/C16H21N3O2/c1-12-10-15(18-16(17-12)13-5-6-13)19(7-9-20-2)11-14-4-3-8-21-14/h3-4,8,10,13H,5-7,9,11H2,1-2H3
InChIKeyKYBQVFMZQYPREA-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.91
Rot. Bonds7

About 2-cyclopropyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine

2-cyclopropyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine (PubChem CID 71970489) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-cyclopropyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine
PubChem CID71970489
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-cyclopropyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine
SMILESCOCCN(Cc1ccco1)c1cc(C)nc(C2CC2)n1
InChIInChI=1S/C16H21N3O2/c1-12-10-15(18-16(17-12)13-5-6-13)19(7-9-20-2)11-14-4-3-8-21-14/h3-4,8,10,13H,5-7,9,11H2,1-2H3
InChIKeyKYBQVFMZQYPREA-UHFFFAOYSA-N
XLogP2.91
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine (CID 71970489) is 2-cyclopropyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine is COCCN(Cc1ccco1)c1cc(C)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine?
The InChIKey is KYBQVFMZQYPREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-10-15(18-16(17-12)13-5-6-13)19(7-9-20-2)11-14-4-3-8-21-14/h3-4,8,10,13H,5-7,9,11H2,1-2H3.
What are the key properties of 2-cyclopropyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine?
2-cyclopropyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine has a molecular weight of 287.36 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 71970489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).