2-(ethoxymethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

C13H21N3O2 — CID 106472621

IUPAC2-(ethoxymethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(COCC)nc2c1COCC2
InChIInChI=1S/C13H21N3O2/c1-3-6-14-13-10-8-18-7-5-11(10)15-12(16-13)9-17-4-2/h3-9H2,1-2H3,(H,14,15,16)
InChIKeyDYZMDVNPEIISTR-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.91
Rot. Bonds6

About 2-(ethoxymethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

2-(ethoxymethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 106472621) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(ethoxymethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID106472621
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(ethoxymethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(COCC)nc2c1COCC2
InChIInChI=1S/C13H21N3O2/c1-3-6-14-13-10-8-18-7-5-11(10)15-12(16-13)9-17-4-2/h3-9H2,1-2H3,(H,14,15,16)
InChIKeyDYZMDVNPEIISTR-UHFFFAOYSA-N
XLogP1.91
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(ethoxymethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 106472621) is 2-(ethoxymethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(ethoxymethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(ethoxymethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is CCCNc1nc(COCC)nc2c1COCC2.
What is the InChIKey of 2-(ethoxymethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is DYZMDVNPEIISTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-6-14-13-10-8-18-7-5-11(10)15-12(16-13)9-17-4-2/h3-9H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(ethoxymethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
2-(ethoxymethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 251.33 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106472621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).