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

C13H19N3O2 — CID 106472179

IUPACN-methyl-2-(oxan-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCNc1nc(C2CCCOC2)nc2c1COCC2
InChIInChI=1S/C13H19N3O2/c1-14-13-10-8-18-6-4-11(10)15-12(16-13)9-3-2-5-17-7-9/h9H,2-8H2,1H3,(H,14,15,16)
InChIKeyGCGQYBPHCPUCSJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.49
Rot. Bonds2

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

N-methyl-2-(oxan-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 106472179) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-methyl-2-(oxan-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(oxan-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID106472179
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-methyl-2-(oxan-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCNc1nc(C2CCCOC2)nc2c1COCC2
InChIInChI=1S/C13H19N3O2/c1-14-13-10-8-18-6-4-11(10)15-12(16-13)9-3-2-5-17-7-9/h9H,2-8H2,1H3,(H,14,15,16)
InChIKeyGCGQYBPHCPUCSJ-UHFFFAOYSA-N
XLogP1.49
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(oxan-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-(oxan-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 106472179) is N-methyl-2-(oxan-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-(oxan-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-(oxan-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is CNc1nc(C2CCCOC2)nc2c1COCC2.
What is the InChIKey of N-methyl-2-(oxan-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is GCGQYBPHCPUCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-14-13-10-8-18-6-4-11(10)15-12(16-13)9-3-2-5-17-7-9/h9H,2-8H2,1H3,(H,14,15,16).
What are the key properties of N-methyl-2-(oxan-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
N-methyl-2-(oxan-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 249.31 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(oxan-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106472179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).