ethane;5-ethyl-6,7-dihydropyrrolo[3,2-d]pyrimidine

C10H17N3 — CID 143904281

IUPACethane;5-ethyl-6,7-dihydropyrrolo[3,2-d]pyrimidine
SMILESCC.CCN1CCc2ncncc21
InChIInChI=1S/C8H11N3.C2H6/c1-2-11-4-3-7-8(11)5-9-6-10-7;1-2/h5-6H,2-4H2,1H3;1-2H3
InChIKeyKVGSEYHLUXCUSC-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.89
Rot. Bonds1

About ethane;5-ethyl-6,7-dihydropyrrolo[3,2-d]pyrimidine

ethane;5-ethyl-6,7-dihydropyrrolo[3,2-d]pyrimidine (PubChem CID 143904281) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is ethane;5-ethyl-6,7-dihydropyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Nameethane;5-ethyl-6,7-dihydropyrrolo[3,2-d]pyrimidine
PubChem CID143904281
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Nameethane;5-ethyl-6,7-dihydropyrrolo[3,2-d]pyrimidine
SMILESCC.CCN1CCc2ncncc21
InChIInChI=1S/C8H11N3.C2H6/c1-2-11-4-3-7-8(11)5-9-6-10-7;1-2/h5-6H,2-4H2,1H3;1-2H3
InChIKeyKVGSEYHLUXCUSC-UHFFFAOYSA-N
XLogP1.89
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-propan-2-yl-6,7-dihydropyrrolo[3,2-d]pyrimidine
CID 138607465
5-tert-butyl-6,7-dihydropyrrolo[3,2-d]pyrimidine
CID 58845167
9-chloro-7-ethyl-8H-purine
CID 174363442
6-(1-ethylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 121183308
ethane;7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 143170671
6-(3,3-dimethylbutyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 121183281
6-iodo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 126687707
1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-ethoxyethanone
CID 90620861
4-(5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)thiomorpholine
CID 68620526
ethane;5-methylidene-7,8-dihydro-6H-quinazoline
CID 143340702
1-ethyl-4,5,6-trimethyl-2,3-dihydroindole
CID 59131808
4-ethoxy-1-ethyl-2,3-dihydroindole
CID 59678208

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-6,7-dihydropyrrolo[3,2-d]pyrimidine?
The IUPAC name of ethane;5-ethyl-6,7-dihydropyrrolo[3,2-d]pyrimidine (CID 143904281) is ethane;5-ethyl-6,7-dihydropyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for ethane;5-ethyl-6,7-dihydropyrrolo[3,2-d]pyrimidine?
The canonical SMILES for ethane;5-ethyl-6,7-dihydropyrrolo[3,2-d]pyrimidine is CC.CCN1CCc2ncncc21.
What is the InChIKey of ethane;5-ethyl-6,7-dihydropyrrolo[3,2-d]pyrimidine?
The InChIKey is KVGSEYHLUXCUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3.C2H6/c1-2-11-4-3-7-8(11)5-9-6-10-7;1-2/h5-6H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;5-ethyl-6,7-dihydropyrrolo[3,2-d]pyrimidine?
ethane;5-ethyl-6,7-dihydropyrrolo[3,2-d]pyrimidine has a molecular weight of 179.27 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-6,7-dihydropyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 143904281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).