6-(3,3-dimethylbutyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C13H21N3 — CID 121183281

IUPAC6-(3,3-dimethylbutyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC(C)(C)CCN1CCc2ncncc2C1
InChIInChI=1S/C13H21N3/c1-13(2,3)5-7-16-6-4-12-11(9-16)8-14-10-15-12/h8,10H,4-7,9H2,1-3H3
InChIKeyNUYUFUBRXUNBLI-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.27
Rot. Bonds2

About 6-(3,3-dimethylbutyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-(3,3-dimethylbutyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 121183281) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 6-(3,3-dimethylbutyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(3,3-dimethylbutyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID121183281
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name6-(3,3-dimethylbutyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC(C)(C)CCN1CCc2ncncc2C1
InChIInChI=1S/C13H21N3/c1-13(2,3)5-7-16-6-4-12-11(9-16)8-14-10-15-12/h8,10H,4-7,9H2,1-3H3
InChIKeyNUYUFUBRXUNBLI-UHFFFAOYSA-N
XLogP2.27
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-iodo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 126687707
6-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 59332229
6-(1-ethylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 121183308
6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine;6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 166543174
ethane;7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 143170671
5-tert-butyl-6,7-dihydropyrrolo[3,2-d]pyrimidine
CID 58845167
6-(6-methoxy-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 175766459
3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981584
2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)acetaldehyde
CID 82415173
4-tert-butyl-N-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-oxoethyl]benzenesulfonamide
CID 90620917
1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-ethoxyethanone
CID 90620861
7-[(2-pyrimidin-5-ylpyrimidin-5-yl)methyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 167907458

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-dimethylbutyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(3,3-dimethylbutyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 121183281) is 6-(3,3-dimethylbutyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(3,3-dimethylbutyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(3,3-dimethylbutyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CC(C)(C)CCN1CCc2ncncc2C1.
What is the InChIKey of 6-(3,3-dimethylbutyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is NUYUFUBRXUNBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-13(2,3)5-7-16-6-4-12-11(9-16)8-14-10-15-12/h8,10H,4-7,9H2,1-3H3.
What are the key properties of 6-(3,3-dimethylbutyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(3,3-dimethylbutyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 219.33 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-dimethylbutyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 121183281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).