2-(4-propylmorpholin-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

C14H22N4O2 — CID 106472072

IUPAC2-(4-propylmorpholin-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCCN1CCOC(c2nc(N)c3c(n2)CCOC3)C1
InChIInChI=1S/C14H22N4O2/c1-2-4-18-5-7-20-12(8-18)14-16-11-3-6-19-9-10(11)13(15)17-14/h12H,2-9H2,1H3,(H2,15,16,17)
InChIKeyVJFQOEHKRUMJOO-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.91
Rot. Bonds3

About 2-(4-propylmorpholin-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

2-(4-propylmorpholin-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 106472072) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(4-propylmorpholin-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-propylmorpholin-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID106472072
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-(4-propylmorpholin-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCCN1CCOC(c2nc(N)c3c(n2)CCOC3)C1
InChIInChI=1S/C14H22N4O2/c1-2-4-18-5-7-20-12(8-18)14-16-11-3-6-19-9-10(11)13(15)17-14/h12H,2-9H2,1H3,(H2,15,16,17)
InChIKeyVJFQOEHKRUMJOO-UHFFFAOYSA-N
XLogP0.91
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propylmorpholin-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(4-propylmorpholin-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 106472072) is 2-(4-propylmorpholin-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-propylmorpholin-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-propylmorpholin-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is CCCN1CCOC(c2nc(N)c3c(n2)CCOC3)C1.
What is the InChIKey of 2-(4-propylmorpholin-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is VJFQOEHKRUMJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-2-4-18-5-7-20-12(8-18)14-16-11-3-6-19-9-10(11)13(15)17-14/h12H,2-9H2,1H3,(H2,15,16,17).
What are the key properties of 2-(4-propylmorpholin-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
2-(4-propylmorpholin-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 278.36 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylmorpholin-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106472072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).