2,6-di(propan-2-yl)pyrido[3,4-d]pyrimidin-5-ol

C13H17N3O — CID 168817533

IUPAC2,6-di(propan-2-yl)pyrido[3,4-d]pyrimidin-5-ol
SMILESCC(C)c1ncc2c(O)c(C(C)C)ncc2n1
InChIInChI=1S/C13H17N3O/c1-7(2)11-12(17)9-5-15-13(8(3)4)16-10(9)6-14-11/h5-8,17H,1-4H3
InChIKeyCFUBBFGVVIYDMX-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.98
Rot. Bonds2

About 2,6-di(propan-2-yl)pyrido[3,4-d]pyrimidin-5-ol

2,6-di(propan-2-yl)pyrido[3,4-d]pyrimidin-5-ol (PubChem CID 168817533) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2,6-di(propan-2-yl)pyrido[3,4-d]pyrimidin-5-ol.

Molecular Properties

Compound Name2,6-di(propan-2-yl)pyrido[3,4-d]pyrimidin-5-ol
PubChem CID168817533
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2,6-di(propan-2-yl)pyrido[3,4-d]pyrimidin-5-ol
SMILESCC(C)c1ncc2c(O)c(C(C)C)ncc2n1
InChIInChI=1S/C13H17N3O/c1-7(2)11-12(17)9-5-15-13(8(3)4)16-10(9)6-14-11/h5-8,17H,1-4H3
InChIKeyCFUBBFGVVIYDMX-UHFFFAOYSA-N
XLogP2.98
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2,4-di(propan-2-yl)pyrimidine-5-carboxylate
CID 22831820
5,6,7,8-tetramethyl-2-propan-2-ylquinazoline
CID 134368400
5-chloro-2,4-di(propan-2-yl)pyrimidine
CID 121312283
4,6-dimethyl-2-propan-2-ylpyrimidin-5-ol
CID 15584112
6-methyl-2-propan-2-ylfuro[3,2-d]pyrimidine
CID 165165025
5-tert-butyl-2,4-di(propan-2-yl)pyrimidine
CID 176827560
2,7-di(propan-2-yl)pyrido[4,3-d]pyrimidine
CID 171735434
5-propan-2-ylthiadiazolo[5,4-d]pyrimidine
CID 130231920
[2,4-di(propan-2-yl)pyrimidin-5-yl]methanamine
CID 82505175
5-methyl-6-propan-2-ylpyridin-3-ol
CID 134185781
2,3-di(propan-2-yl)pyrazino[2,3-d]pyridazine
CID 90442279
4,5-dichloro-2-propan-2-ylpyrimidine
CID 58333528

Frequently Asked Questions

What is the IUPAC name of 2,6-di(propan-2-yl)pyrido[3,4-d]pyrimidin-5-ol?
The IUPAC name of 2,6-di(propan-2-yl)pyrido[3,4-d]pyrimidin-5-ol (CID 168817533) is 2,6-di(propan-2-yl)pyrido[3,4-d]pyrimidin-5-ol.
What is the SMILES notation for 2,6-di(propan-2-yl)pyrido[3,4-d]pyrimidin-5-ol?
The canonical SMILES for 2,6-di(propan-2-yl)pyrido[3,4-d]pyrimidin-5-ol is CC(C)c1ncc2c(O)c(C(C)C)ncc2n1.
What is the InChIKey of 2,6-di(propan-2-yl)pyrido[3,4-d]pyrimidin-5-ol?
The InChIKey is CFUBBFGVVIYDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-7(2)11-12(17)9-5-15-13(8(3)4)16-10(9)6-14-11/h5-8,17H,1-4H3.
What are the key properties of 2,6-di(propan-2-yl)pyrido[3,4-d]pyrimidin-5-ol?
2,6-di(propan-2-yl)pyrido[3,4-d]pyrimidin-5-ol has a molecular weight of 231.30 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(propan-2-yl)pyrido[3,4-d]pyrimidin-5-ol is sourced from PubChem (CID 168817533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).