2,4,7-tri(propan-2-yl)pyrano[2,3-d]pyrimidin-5-one

C16H22N2O2 — CID 171769804

IUPAC2,4,7-tri(propan-2-yl)pyrano[2,3-d]pyrimidin-5-one
SMILESCC(C)c1nc(C(C)C)c2c(=O)cc(C(C)C)oc2n1
InChIInChI=1S/C16H22N2O2/c1-8(2)12-7-11(19)13-14(9(3)4)17-15(10(5)6)18-16(13)20-12/h7-10H,1-6H3
InChIKeyPSANSFLCYRJNRX-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.95
Rot. Bonds3

About 2,4,7-tri(propan-2-yl)pyrano[2,3-d]pyrimidin-5-one

2,4,7-tri(propan-2-yl)pyrano[2,3-d]pyrimidin-5-one (PubChem CID 171769804) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2,4,7-tri(propan-2-yl)pyrano[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2,4,7-tri(propan-2-yl)pyrano[2,3-d]pyrimidin-5-one
PubChem CID171769804
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2,4,7-tri(propan-2-yl)pyrano[2,3-d]pyrimidin-5-one
SMILESCC(C)c1nc(C(C)C)c2c(=O)cc(C(C)C)oc2n1
InChIInChI=1S/C16H22N2O2/c1-8(2)12-7-11(19)13-14(9(3)4)17-15(10(5)6)18-16(13)20-12/h7-10H,1-6H3
InChIKeyPSANSFLCYRJNRX-UHFFFAOYSA-N
XLogP3.95
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2,2-Difluorobutoxy)-6-ethylpyrimidin-5-yl]ethanone
CID 126711019
1-[4-(2,2-Difluoropropoxy)-6-ethylpyrimidin-5-yl]ethanone
CID 154949232
Ethyl 2,4-dimethoxy-6-prop-2-enylpyrimidine-5-carboxylate
CID 121015747
7,7-dimethyl-2,4-di(propan-2-yl)-6H-pyrano[2,3-d]pyrimidin-5-one
CID 59634353
2-Methyl-7-methylidene-4-propan-2-ylpyrano[2,3-d]pyrimidin-5-one
CID 67566357
2-Cyclopropyl-4-methoxy-6-(2-methylpropyl)pyrimidine-5-carbaldehyde
CID 87815027
2,4-Dimethoxy-6-(2-methylpropyl)pyrimidine-5-carbaldehyde
CID 87977002
2-Amino-4-methyl-6,7-dihydropyrano[2,3-d]pyrimidin-5-one
CID 90064102
4,7-Dimethylpyrano[2,3-d]pyrimidin-5-one
CID 117960309
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
1-(4-Butoxy-2-chloro-6-methylpyrimidin-5-yl)propan-1-one
CID 170185896

Frequently Asked Questions

What is the IUPAC name of 2,4,7-tri(propan-2-yl)pyrano[2,3-d]pyrimidin-5-one?
The IUPAC name of 2,4,7-tri(propan-2-yl)pyrano[2,3-d]pyrimidin-5-one (CID 171769804) is 2,4,7-tri(propan-2-yl)pyrano[2,3-d]pyrimidin-5-one.
What is the SMILES notation for 2,4,7-tri(propan-2-yl)pyrano[2,3-d]pyrimidin-5-one?
The canonical SMILES for 2,4,7-tri(propan-2-yl)pyrano[2,3-d]pyrimidin-5-one is CC(C)c1nc(C(C)C)c2c(=O)cc(C(C)C)oc2n1.
What is the InChIKey of 2,4,7-tri(propan-2-yl)pyrano[2,3-d]pyrimidin-5-one?
The InChIKey is PSANSFLCYRJNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-8(2)12-7-11(19)13-14(9(3)4)17-15(10(5)6)18-16(13)20-12/h7-10H,1-6H3.
What are the key properties of 2,4,7-tri(propan-2-yl)pyrano[2,3-d]pyrimidin-5-one?
2,4,7-tri(propan-2-yl)pyrano[2,3-d]pyrimidin-5-one has a molecular weight of 274.36 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,7-tri(propan-2-yl)pyrano[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 171769804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).