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

C16H23N5 — CID 154966165

IUPAC6-[(4-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl)methyl]-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
SMILESCc1cc(CC2CCNC3=NCCCN32)nc2c1CNC2
InChIInChI=1S/C16H23N5/c1-11-7-12(20-15-10-17-9-14(11)15)8-13-3-5-19-16-18-4-2-6-21(13)16/h7,13,17H,2-6,8-10H2,1H3,(H,18,19)
InChIKeyPMEXANREIRBGIP-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.96
Rot. Bonds2

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

6-[(4-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl)methyl]-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine (PubChem CID 154966165) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 6-[(4-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl)methyl]-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-[(4-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl)methyl]-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
PubChem CID154966165
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name6-[(4-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl)methyl]-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
SMILESCc1cc(CC2CCNC3=NCCCN32)nc2c1CNC2
InChIInChI=1S/C16H23N5/c1-11-7-12(20-15-10-17-9-14(11)15)8-13-3-5-19-16-18-4-2-6-21(13)16/h7,13,17H,2-6,8-10H2,1H3,(H,18,19)
InChIKeyPMEXANREIRBGIP-UHFFFAOYSA-N
XLogP0.96
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

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
2-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-2-yl]-N-methylethanamine
CID 114400539
6-[1-(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-6-ylmethyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-4-yl]-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
CID 126560979
[1-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazin-2-yl]methanamine
CID 114400598
2-(azepan-1-yl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740020
2-[[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924605
4-(azetidin-1-yl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;ethane
CID 177061372
[1-(3-methylquinolin-2-yl)azepan-2-yl]methanamine
CID 116640310
[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-2-yl]methanamine
CID 65168676
2-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 117154255
2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 61175735
4-(2,3-dichlorophenyl)-2-methyl-4,6,7,8-tetrahydro-1H-pyrimido[1,2-a]pyrimidine
CID 141038909

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl)methyl]-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
The IUPAC name of 6-[(4-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl)methyl]-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine (CID 154966165) is 6-[(4-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl)methyl]-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine.
What is the SMILES notation for 6-[(4-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl)methyl]-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
The canonical SMILES for 6-[(4-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl)methyl]-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine is Cc1cc(CC2CCNC3=NCCCN32)nc2c1CNC2.
What is the InChIKey of 6-[(4-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl)methyl]-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
The InChIKey is PMEXANREIRBGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-11-7-12(20-15-10-17-9-14(11)15)8-13-3-5-19-16-18-4-2-6-21(13)16/h7,13,17H,2-6,8-10H2,1H3,(H,18,19).
What are the key properties of 6-[(4-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl)methyl]-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
6-[(4-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl)methyl]-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine has a molecular weight of 285.39 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl)methyl]-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine is sourced from PubChem (CID 154966165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).