6-(2-cyclopropylethoxy)-2-(ethoxymethyl)pyrimidin-4-amine

C12H19N3O2 — CID 106207534

IUPAC6-(2-cyclopropylethoxy)-2-(ethoxymethyl)pyrimidin-4-amine
SMILESCCOCc1nc(N)cc(OCCC2CC2)n1
InChIInChI=1S/C12H19N3O2/c1-2-16-8-11-14-10(13)7-12(15-11)17-6-5-9-3-4-9/h7,9H,2-6,8H2,1H3,(H2,13,14,15)
InChIKeyAVPFHYWKNRYSDP-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.77
Rot. Bonds7

About 6-(2-cyclopropylethoxy)-2-(ethoxymethyl)pyrimidin-4-amine

6-(2-cyclopropylethoxy)-2-(ethoxymethyl)pyrimidin-4-amine (PubChem CID 106207534) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 6-(2-cyclopropylethoxy)-2-(ethoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-cyclopropylethoxy)-2-(ethoxymethyl)pyrimidin-4-amine
PubChem CID106207534
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name6-(2-cyclopropylethoxy)-2-(ethoxymethyl)pyrimidin-4-amine
SMILESCCOCc1nc(N)cc(OCCC2CC2)n1
InChIInChI=1S/C12H19N3O2/c1-2-16-8-11-14-10(13)7-12(15-11)17-6-5-9-3-4-9/h7,9H,2-6,8H2,1H3,(H2,13,14,15)
InChIKeyAVPFHYWKNRYSDP-UHFFFAOYSA-N
XLogP1.77
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropylethoxy)-2-(ethoxymethyl)pyrimidin-4-amine?
The IUPAC name of 6-(2-cyclopropylethoxy)-2-(ethoxymethyl)pyrimidin-4-amine (CID 106207534) is 6-(2-cyclopropylethoxy)-2-(ethoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2-cyclopropylethoxy)-2-(ethoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(2-cyclopropylethoxy)-2-(ethoxymethyl)pyrimidin-4-amine is CCOCc1nc(N)cc(OCCC2CC2)n1.
What is the InChIKey of 6-(2-cyclopropylethoxy)-2-(ethoxymethyl)pyrimidin-4-amine?
The InChIKey is AVPFHYWKNRYSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-16-8-11-14-10(13)7-12(15-11)17-6-5-9-3-4-9/h7,9H,2-6,8H2,1H3,(H2,13,14,15).
What are the key properties of 6-(2-cyclopropylethoxy)-2-(ethoxymethyl)pyrimidin-4-amine?
6-(2-cyclopropylethoxy)-2-(ethoxymethyl)pyrimidin-4-amine has a molecular weight of 237.30 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopropylethoxy)-2-(ethoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 106207534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).