7,7-dimethyl-2,4-di(propan-2-yl)-6H-pyrano[2,3-d]pyrimidin-5-one

C15H22N2O2 — CID 59634353

IUPAC7,7-dimethyl-2,4-di(propan-2-yl)-6H-pyrano[2,3-d]pyrimidin-5-one
SMILESCC(C)c1nc2c(c(C(C)C)n1)C(=O)CC(C)(C)O2
InChIInChI=1S/C15H22N2O2/c1-8(2)12-11-10(18)7-15(5,6)19-14(11)17-13(16-12)9(3)4/h8-9H,7H2,1-6H3
InChIKeyPHXVIZKYMWJBFX-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.47
Rot. Bonds2

About 7,7-dimethyl-2,4-di(propan-2-yl)-6H-pyrano[2,3-d]pyrimidin-5-one

7,7-dimethyl-2,4-di(propan-2-yl)-6H-pyrano[2,3-d]pyrimidin-5-one (PubChem CID 59634353) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 7,7-dimethyl-2,4-di(propan-2-yl)-6H-pyrano[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name7,7-dimethyl-2,4-di(propan-2-yl)-6H-pyrano[2,3-d]pyrimidin-5-one
PubChem CID59634353
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name7,7-dimethyl-2,4-di(propan-2-yl)-6H-pyrano[2,3-d]pyrimidin-5-one
SMILESCC(C)c1nc2c(c(C(C)C)n1)C(=O)CC(C)(C)O2
InChIInChI=1S/C15H22N2O2/c1-8(2)12-11-10(18)7-15(5,6)19-14(11)17-13(16-12)9(3)4/h8-9H,7H2,1-6H3
InChIKeyPHXVIZKYMWJBFX-UHFFFAOYSA-N
XLogP3.47
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

2-Tert-butyl-7,7-dimethyl-4-propan-2-yl-5,6-dihydropyrano[2,3-d]pyrimidine
CID 59634373
2,4-Ditert-butylspiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]
CID 59634400
2,4-Diethylspiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]
CID 67565837
2-Ethyl-7,7-dimethyl-4-propan-2-yl-5,6-dihydropyrano[2,3-d]pyrimidine
CID 67565841
2-Methyl-7-methylidene-4-propan-2-ylpyrano[2,3-d]pyrimidin-5-one
CID 67566357
2-Amino-4-methyl-6,7-dihydropyrano[2,3-d]pyrimidin-5-one
CID 90064102
2-Amino-4-tert-butyl-6,7-dihydropyrano[2,3-d]pyrimidin-5-one
CID 118445895
2,4-Dimethylspiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]
CID 144114561
2,4-Dimethylspiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane];ethane
CID 144114578
ethane;2,4,7,7-tetramethyl-6H-pyrano[2,3-d]pyrimidin-5-one
CID 144114586
2,4,7,7-tetramethyl-6H-pyrano[2,3-d]pyrimidin-5-one
CID 144114587
2,4,7,7-Tetramethyl-5,6-dihydropyrano[2,3-d]pyrimidine
CID 144114624

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2,4-di(propan-2-yl)-6H-pyrano[2,3-d]pyrimidin-5-one?
The IUPAC name of 7,7-dimethyl-2,4-di(propan-2-yl)-6H-pyrano[2,3-d]pyrimidin-5-one (CID 59634353) is 7,7-dimethyl-2,4-di(propan-2-yl)-6H-pyrano[2,3-d]pyrimidin-5-one.
What is the SMILES notation for 7,7-dimethyl-2,4-di(propan-2-yl)-6H-pyrano[2,3-d]pyrimidin-5-one?
The canonical SMILES for 7,7-dimethyl-2,4-di(propan-2-yl)-6H-pyrano[2,3-d]pyrimidin-5-one is CC(C)c1nc2c(c(C(C)C)n1)C(=O)CC(C)(C)O2.
What is the InChIKey of 7,7-dimethyl-2,4-di(propan-2-yl)-6H-pyrano[2,3-d]pyrimidin-5-one?
The InChIKey is PHXVIZKYMWJBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-8(2)12-11-10(18)7-15(5,6)19-14(11)17-13(16-12)9(3)4/h8-9H,7H2,1-6H3.
What are the key properties of 7,7-dimethyl-2,4-di(propan-2-yl)-6H-pyrano[2,3-d]pyrimidin-5-one?
7,7-dimethyl-2,4-di(propan-2-yl)-6H-pyrano[2,3-d]pyrimidin-5-one has a molecular weight of 262.35 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2,4-di(propan-2-yl)-6H-pyrano[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 59634353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).