2-tert-butyl-7,7-dimethyl-4-propan-2-yl-5,6-dihydropyrano[2,3-d]pyrimidine

C16H26N2O — CID 59634373

IUPAC2-tert-butyl-7,7-dimethyl-4-propan-2-yl-5,6-dihydropyrano[2,3-d]pyrimidine
SMILESCC(C)c1nc(C(C)(C)C)nc2c1CCC(C)(C)O2
InChIInChI=1S/C16H26N2O/c1-10(2)12-11-8-9-16(6,7)19-13(11)18-14(17-12)15(3,4)5/h10H,8-9H2,1-7H3
InChIKeyULAGSLHPXLLMNM-UHFFFAOYSA-N
MW262.40 g/mol
LogP4.00
Rot. Bonds1

About 2-tert-butyl-7,7-dimethyl-4-propan-2-yl-5,6-dihydropyrano[2,3-d]pyrimidine

2-tert-butyl-7,7-dimethyl-4-propan-2-yl-5,6-dihydropyrano[2,3-d]pyrimidine (PubChem CID 59634373) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-tert-butyl-7,7-dimethyl-4-propan-2-yl-5,6-dihydropyrano[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-7,7-dimethyl-4-propan-2-yl-5,6-dihydropyrano[2,3-d]pyrimidine
PubChem CID59634373
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-tert-butyl-7,7-dimethyl-4-propan-2-yl-5,6-dihydropyrano[2,3-d]pyrimidine
SMILESCC(C)c1nc(C(C)(C)C)nc2c1CCC(C)(C)O2
InChIInChI=1S/C16H26N2O/c1-10(2)12-11-8-9-16(6,7)19-13(11)18-14(17-12)15(3,4)5/h10H,8-9H2,1-7H3
InChIKeyULAGSLHPXLLMNM-UHFFFAOYSA-N
XLogP4.00
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-tert-butyl-7,7-dimethyl-4-propan-2-yl-5,6-dihydropyrano[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
4-Ethoxy-2-fluoro-6-methylspiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,1'-cyclopropane]
CID 172576442
2-Fluoro-6-methyl-4-propan-2-yloxyspiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,1'-cyclopropane]
CID 172576503
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
4-methyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-amine
CID 20137762
4-methyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine
CID 20703075
5,7,9,11,13-Pentamethyl-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene
CID 20720121
2,4-dimethyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine
CID 22082542

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7,7-dimethyl-4-propan-2-yl-5,6-dihydropyrano[2,3-d]pyrimidine?
The IUPAC name of 2-tert-butyl-7,7-dimethyl-4-propan-2-yl-5,6-dihydropyrano[2,3-d]pyrimidine (CID 59634373) is 2-tert-butyl-7,7-dimethyl-4-propan-2-yl-5,6-dihydropyrano[2,3-d]pyrimidine.
What is the SMILES notation for 2-tert-butyl-7,7-dimethyl-4-propan-2-yl-5,6-dihydropyrano[2,3-d]pyrimidine?
The canonical SMILES for 2-tert-butyl-7,7-dimethyl-4-propan-2-yl-5,6-dihydropyrano[2,3-d]pyrimidine is CC(C)c1nc(C(C)(C)C)nc2c1CCC(C)(C)O2.
What is the InChIKey of 2-tert-butyl-7,7-dimethyl-4-propan-2-yl-5,6-dihydropyrano[2,3-d]pyrimidine?
The InChIKey is ULAGSLHPXLLMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-10(2)12-11-8-9-16(6,7)19-13(11)18-14(17-12)15(3,4)5/h10H,8-9H2,1-7H3.
What are the key properties of 2-tert-butyl-7,7-dimethyl-4-propan-2-yl-5,6-dihydropyrano[2,3-d]pyrimidine?
2-tert-butyl-7,7-dimethyl-4-propan-2-yl-5,6-dihydropyrano[2,3-d]pyrimidine has a molecular weight of 262.40 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7,7-dimethyl-4-propan-2-yl-5,6-dihydropyrano[2,3-d]pyrimidine is sourced from PubChem (CID 59634373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).