2,7-di(propan-2-yl)pyrido[4,3-d]pyrimidine

C13H17N3 — CID 171735434

IUPAC2,7-di(propan-2-yl)pyrido[4,3-d]pyrimidine
SMILESCC(C)c1cc2nc(C(C)C)ncc2cn1
InChIInChI=1S/C13H17N3/c1-8(2)11-5-12-10(6-14-11)7-15-13(16-12)9(3)4/h5-9H,1-4H3
InChIKeyFTVMBRPVPWCAHN-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.27
Rot. Bonds2

About 2,7-di(propan-2-yl)pyrido[4,3-d]pyrimidine

2,7-di(propan-2-yl)pyrido[4,3-d]pyrimidine (PubChem CID 171735434) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2,7-di(propan-2-yl)pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2,7-di(propan-2-yl)pyrido[4,3-d]pyrimidine
PubChem CID171735434
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2,7-di(propan-2-yl)pyrido[4,3-d]pyrimidine
SMILESCC(C)c1cc2nc(C(C)C)ncc2cn1
InChIInChI=1S/C13H17N3/c1-8(2)11-5-12-10(6-14-11)7-15-13(16-12)9(3)4/h5-9H,1-4H3
InChIKeyFTVMBRPVPWCAHN-UHFFFAOYSA-N
XLogP3.27
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-propan-2-ylfuro[3,2-d]pyrimidine
CID 165165025
6-iodo-2-propan-2-ylfuro[3,2-d]pyrimidine
CID 155410220
6-propan-2-ylpyrido[3,4-d]pyrimidine
CID 59592820
ethane;2,4,5-tri(propan-2-yl)pyridine
CID 167652229
2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine
CID 158889204
ethane;6-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
CID 153396887
4,5-dichloro-2-propan-2-ylpyrimidine
CID 58333528
6-propan-2-ylpyridine-3,4-diamine
CID 22380346
4,5-difluoro-2-propan-2-ylpyridine
CID 170611007
3-propan-2-yl-2,6-naphthyridine;3-propan-2-yl-2,7-naphthyridine
CID 159240940
6-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidine
CID 130232018
2,5-di(propan-2-yl)pyrazine;2,6-di(propan-2-yl)pyrazine
CID 161386893

Frequently Asked Questions

What is the IUPAC name of 2,7-di(propan-2-yl)pyrido[4,3-d]pyrimidine?
The IUPAC name of 2,7-di(propan-2-yl)pyrido[4,3-d]pyrimidine (CID 171735434) is 2,7-di(propan-2-yl)pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2,7-di(propan-2-yl)pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2,7-di(propan-2-yl)pyrido[4,3-d]pyrimidine is CC(C)c1cc2nc(C(C)C)ncc2cn1.
What is the InChIKey of 2,7-di(propan-2-yl)pyrido[4,3-d]pyrimidine?
The InChIKey is FTVMBRPVPWCAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-8(2)11-5-12-10(6-14-11)7-15-13(16-12)9(3)4/h5-9H,1-4H3.
What are the key properties of 2,7-di(propan-2-yl)pyrido[4,3-d]pyrimidine?
2,7-di(propan-2-yl)pyrido[4,3-d]pyrimidine has a molecular weight of 215.30 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-di(propan-2-yl)pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 171735434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).