6-(2,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-7-yl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine

C17H25N5 — CID 154966166

IUPAC6-(2,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-7-yl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
SMILESCc1nc2c(c(C)c1C)CNC2C1CCNC2=NCCCN21
InChIInChI=1S/C17H25N5/c1-10-11(2)13-9-20-16(15(13)21-12(10)3)14-5-7-19-17-18-6-4-8-22(14)17/h14,16,20H,4-9H2,1-3H3,(H,18,19)
InChIKeyNRZXSOWXMTWQQS-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.57
Rot. Bonds1

About 6-(2,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-7-yl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine

6-(2,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-7-yl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine (PubChem CID 154966166) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 6-(2,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-7-yl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-(2,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-7-yl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
PubChem CID154966166
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name6-(2,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-7-yl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
SMILESCc1nc2c(c(C)c1C)CNC2C1CCNC2=NCCCN21
InChIInChI=1S/C17H25N5/c1-10-11(2)13-9-20-16(15(13)21-12(10)3)14-5-7-19-17-18-6-4-8-22(14)17/h14,16,20H,4-9H2,1-3H3,(H,18,19)
InChIKeyNRZXSOWXMTWQQS-UHFFFAOYSA-N
XLogP1.57
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(2,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-7-yl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-7-yl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
The IUPAC name of 6-(2,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-7-yl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine (CID 154966166) is 6-(2,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-7-yl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine.
What is the SMILES notation for 6-(2,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-7-yl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
The canonical SMILES for 6-(2,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-7-yl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine is Cc1nc2c(c(C)c1C)CNC2C1CCNC2=NCCCN21.
What is the InChIKey of 6-(2,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-7-yl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
The InChIKey is NRZXSOWXMTWQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-10-11(2)13-9-20-16(15(13)21-12(10)3)14-5-7-19-17-18-6-4-8-22(14)17/h14,16,20H,4-9H2,1-3H3,(H,18,19).
What are the key properties of 6-(2,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-7-yl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
6-(2,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-7-yl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine has a molecular weight of 299.42 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-7-yl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine is sourced from PubChem (CID 154966166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).