5,7,7-trimethyl-6H-pyrrolo[3,2-d]pyrimidine

C9H13N3 — CID 21300207

IUPAC5,7,7-trimethyl-6H-pyrrolo[3,2-d]pyrimidine
SMILESCN1CC(C)(C)c2ncncc21
InChIInChI=1S/C9H13N3/c1-9(2)5-12(3)7-4-10-6-11-8(7)9/h4,6H,5H2,1-3H3
InChIKeyQCJKNGAQTWUMJI-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.20
Rot. Bonds

About 5,7,7-trimethyl-6H-pyrrolo[3,2-d]pyrimidine

5,7,7-trimethyl-6H-pyrrolo[3,2-d]pyrimidine (PubChem CID 21300207) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 5,7,7-trimethyl-6H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name5,7,7-trimethyl-6H-pyrrolo[3,2-d]pyrimidine
PubChem CID21300207
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name5,7,7-trimethyl-6H-pyrrolo[3,2-d]pyrimidine
SMILESCN1CC(C)(C)c2ncncc21
InChIInChI=1S/C9H13N3/c1-9(2)5-12(3)7-4-10-6-11-8(7)9/h4,6H,5H2,1-3H3
InChIKeyQCJKNGAQTWUMJI-UHFFFAOYSA-N
XLogP1.20
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N,N-dimethylpyrimidin-2-amine
CID 12450609
1-(2'-Amino-6',6'-dimethylspiro[cyclohexane-1,7'-pyrrolo[3,2-d]pyrimidine]-5'-yl)ethanone
CID 171348818
6,7-dihydro-5H-pyrrolo[3,2-d]pyrimidine
CID 21961500
7h-Pyrrolopyrimidine
CID 23560336
7-Tert-butyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 57813875
6-propan-2-yl-2-(trifluoromethyl)-7H-pyrrolo[3,2-d]pyrimidine
CID 58182688
7-(1-Fluoro-1-methylethyl)imidazo[1,2-alpha]pyrimidine
CID 69559641
7-(1-Fluoro-1-methylethyl)-3-tributylstannylimidazo[1,2-alpha]pyrimidine
CID 69560153
1-Tert-butyl-3-fluoroimidazo[1,5-a]pyrazine
CID 153470243
1-Tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyrazine
CID 153470251
Ethane;1-propan-2-yl-3-(trifluoromethyl)imidazo[1,5-a]pyrazine
CID 153553606
(Z)-1-[7-methyl-7-(trifluoromethyl)-5,6-dihydropyrrolo[3,2-d]pyrimidin-2-yl]but-1-en-2-amine
CID 156803084

Frequently Asked Questions

What is the IUPAC name of 5,7,7-trimethyl-6H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 5,7,7-trimethyl-6H-pyrrolo[3,2-d]pyrimidine (CID 21300207) is 5,7,7-trimethyl-6H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 5,7,7-trimethyl-6H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 5,7,7-trimethyl-6H-pyrrolo[3,2-d]pyrimidine is CN1CC(C)(C)c2ncncc21.
What is the InChIKey of 5,7,7-trimethyl-6H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is QCJKNGAQTWUMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-9(2)5-12(3)7-4-10-6-11-8(7)9/h4,6H,5H2,1-3H3.
What are the key properties of 5,7,7-trimethyl-6H-pyrrolo[3,2-d]pyrimidine?
5,7,7-trimethyl-6H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 163.22 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,7-trimethyl-6H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 21300207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).