2-tert-butyl-6-(5-ethylpyrimidin-2-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine

C16H21N5 — CID 56703409

IUPAC2-tert-butyl-6-(5-ethylpyrimidin-2-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCCc1cnc(N2Cc3cnc(C(C)(C)C)nc3C2)nc1
InChIInChI=1S/C16H21N5/c1-5-11-6-18-15(19-7-11)21-9-12-8-17-14(16(2,3)4)20-13(12)10-21/h6-8H,5,9-10H2,1-4H3
InChIKeyFHYGATQAGUEATC-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.65
Rot. Bonds2

About 2-tert-butyl-6-(5-ethylpyrimidin-2-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine

2-tert-butyl-6-(5-ethylpyrimidin-2-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine (PubChem CID 56703409) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-tert-butyl-6-(5-ethylpyrimidin-2-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-6-(5-ethylpyrimidin-2-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine
PubChem CID56703409
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name2-tert-butyl-6-(5-ethylpyrimidin-2-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCCc1cnc(N2Cc3cnc(C(C)(C)C)nc3C2)nc1
InChIInChI=1S/C16H21N5/c1-5-11-6-18-15(19-7-11)21-9-12-8-17-14(16(2,3)4)20-13(12)10-21/h6-8H,5,9-10H2,1-4H3
InChIKeyFHYGATQAGUEATC-UHFFFAOYSA-N
XLogP2.65
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(5-ethylpyrimidin-2-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-tert-butyl-6-(5-ethylpyrimidin-2-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine (CID 56703409) is 2-tert-butyl-6-(5-ethylpyrimidin-2-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-tert-butyl-6-(5-ethylpyrimidin-2-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-tert-butyl-6-(5-ethylpyrimidin-2-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine is CCc1cnc(N2Cc3cnc(C(C)(C)C)nc3C2)nc1.
What is the InChIKey of 2-tert-butyl-6-(5-ethylpyrimidin-2-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The InChIKey is FHYGATQAGUEATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-5-11-6-18-15(19-7-11)21-9-12-8-17-14(16(2,3)4)20-13(12)10-21/h6-8H,5,9-10H2,1-4H3.
What are the key properties of 2-tert-butyl-6-(5-ethylpyrimidin-2-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine?
2-tert-butyl-6-(5-ethylpyrimidin-2-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine has a molecular weight of 283.38 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(5-ethylpyrimidin-2-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 56703409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).