N,2-di(propan-2-yl)-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-4-amine

C13H21N3O — CID 20626522

IUPACN,2-di(propan-2-yl)-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-4-amine
SMILESCC(C)Nc1nc(C(C)C)nc2c1OCCC2
InChIInChI=1S/C13H21N3O/c1-8(2)12-15-10-6-5-7-17-11(10)13(16-12)14-9(3)4/h8-9H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyVUUVTMLGMCDHOJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.75
Rot. Bonds3

About N,2-di(propan-2-yl)-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-4-amine

N,2-di(propan-2-yl)-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-4-amine (PubChem CID 20626522) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N,2-di(propan-2-yl)-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-di(propan-2-yl)-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-4-amine
PubChem CID20626522
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN,2-di(propan-2-yl)-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-4-amine
SMILESCC(C)Nc1nc(C(C)C)nc2c1OCCC2
InChIInChI=1S/C13H21N3O/c1-8(2)12-15-10-6-5-7-17-11(10)13(16-12)14-9(3)4/h8-9H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyVUUVTMLGMCDHOJ-UHFFFAOYSA-N
XLogP2.75
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,2-di(propan-2-yl)-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,2-di(propan-2-yl)-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-4-amine?
The IUPAC name of N,2-di(propan-2-yl)-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-4-amine (CID 20626522) is N,2-di(propan-2-yl)-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N,2-di(propan-2-yl)-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N,2-di(propan-2-yl)-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-4-amine is CC(C)Nc1nc(C(C)C)nc2c1OCCC2.
What is the InChIKey of N,2-di(propan-2-yl)-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-4-amine?
The InChIKey is VUUVTMLGMCDHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-8(2)12-15-10-6-5-7-17-11(10)13(16-12)14-9(3)4/h8-9H,5-7H2,1-4H3,(H,14,15,16).
What are the key properties of N,2-di(propan-2-yl)-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-4-amine?
N,2-di(propan-2-yl)-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-di(propan-2-yl)-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 20626522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).