2,4-di(propan-2-yl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine

C13H20N2O — CID 146760306

IUPAC2,4-di(propan-2-yl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine
SMILESCC(C)c1nc2c(c(C(C)C)n1)CCCO2
InChIInChI=1S/C13H20N2O/c1-8(2)11-10-6-5-7-16-13(10)15-12(14-11)9(3)4/h8-9H,5-7H2,1-4H3
InChIKeyRPHHOSLQLCRPAY-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.05
Rot. Bonds2

About 2,4-di(propan-2-yl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine

2,4-di(propan-2-yl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine (PubChem CID 146760306) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2,4-di(propan-2-yl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,4-di(propan-2-yl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine
PubChem CID146760306
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2,4-di(propan-2-yl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine
SMILESCC(C)c1nc2c(c(C(C)C)n1)CCCO2
InChIInChI=1S/C13H20N2O/c1-8(2)11-10-6-5-7-16-13(10)15-12(14-11)9(3)4/h8-9H,5-7H2,1-4H3
InChIKeyRPHHOSLQLCRPAY-UHFFFAOYSA-N
XLogP3.05
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4-di(propan-2-yl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine
CID 22943724
2,4-Di-t-butyl-6,7-dihydro-5h-pyrano[2,3-d]pyrimidine
CID 129708459
6-(difluoromethyl)-2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 172576418
4-Ethoxy-2-fluoro-6-methylspiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,1'-cyclopropane]
CID 172576442
6-(2,2-difluoroethyl)-2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 172576491
2-Fluoro-6-methyl-4-propan-2-yloxyspiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,1'-cyclopropane]
CID 172576503
6-(2,2-difluoroethyl)-2-fluoro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 172576523
2-fluoro-6-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 172576567
2,4-Dioctyl-6,7-dihydro-5h-pyrano[2,3-d]pyrimidine
CID 129708445
2,4-Diethyl-6,7-dihydro-5h-pyrano[2,3-d]pyrimidine
CID 129708513
4-Ethoxy-2-methyl-5,6,7,8-tetrahydroquinazoline 1-oxide
CID 156025277
5-Butyl-4-ethoxy-2,6-dimethylpyrimidine
CID 15425429

Frequently Asked Questions

What is the IUPAC name of 2,4-di(propan-2-yl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine?
The IUPAC name of 2,4-di(propan-2-yl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine (CID 146760306) is 2,4-di(propan-2-yl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine.
What is the SMILES notation for 2,4-di(propan-2-yl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine?
The canonical SMILES for 2,4-di(propan-2-yl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine is CC(C)c1nc2c(c(C(C)C)n1)CCCO2.
What is the InChIKey of 2,4-di(propan-2-yl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine?
The InChIKey is RPHHOSLQLCRPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-8(2)11-10-6-5-7-16-13(10)15-12(14-11)9(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 2,4-di(propan-2-yl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine?
2,4-di(propan-2-yl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine has a molecular weight of 220.32 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(propan-2-yl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine is sourced from PubChem (CID 146760306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).