9-methyl-2,4-dipyrrolidin-1-yl-1,2,3,4,5,6-hexahydropyrimido[4,5-b]indole

C19H29N5 — CID 139683390

IUPAC9-methyl-2,4-dipyrrolidin-1-yl-1,2,3,4,5,6-hexahydropyrimido[4,5-b]indole
SMILESCn1c2c(c3c1NC(N1CCCC1)NC3N1CCCC1)CCC=C2
InChIInChI=1S/C19H29N5/c1-22-15-9-3-2-8-14(15)16-17(22)20-19(24-12-6-7-13-24)21-18(16)23-10-4-5-11-23/h3,9,18-21H,2,4-8,10-13H2,1H3
InChIKeyIDFZQPTXBPUKLB-UHFFFAOYSA-N
MW327.48 g/mol
LogP2.47
Rot. Bonds2

About 9-methyl-2,4-dipyrrolidin-1-yl-1,2,3,4,5,6-hexahydropyrimido[4,5-b]indole

9-methyl-2,4-dipyrrolidin-1-yl-1,2,3,4,5,6-hexahydropyrimido[4,5-b]indole (PubChem CID 139683390) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is 9-methyl-2,4-dipyrrolidin-1-yl-1,2,3,4,5,6-hexahydropyrimido[4,5-b]indole.

Molecular Properties

Compound Name9-methyl-2,4-dipyrrolidin-1-yl-1,2,3,4,5,6-hexahydropyrimido[4,5-b]indole
PubChem CID139683390
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC Name9-methyl-2,4-dipyrrolidin-1-yl-1,2,3,4,5,6-hexahydropyrimido[4,5-b]indole
SMILESCn1c2c(c3c1NC(N1CCCC1)NC3N1CCCC1)CCC=C2
InChIInChI=1S/C19H29N5/c1-22-15-9-3-2-8-14(15)16-17(22)20-19(24-12-6-7-13-24)21-18(16)23-10-4-5-11-23/h3,9,18-21H,2,4-8,10-13H2,1H3
InChIKeyIDFZQPTXBPUKLB-UHFFFAOYSA-N
XLogP2.47
TPSA35.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 9-methyl-2,4-dipyrrolidin-1-yl-1,2,3,4,5,6-hexahydropyrimido[4,5-b]indole with MolForge

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Related Compounds

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2-(azepan-1-yl)-6-methyl-1,3-diazinan-4-one
CID 78228721
3-tert-butyl-4,5-dihydro-1H-indole
CID 134571127
1-methyl-3-pyrrolidin-1-ylpiperidine-2,6-dione
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6-methoxy-10-methyl-1,2-dihydroacridin-9-one
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2-methyl-2,3,4,5,6,9-hexahydro-1H-carbazole
CID 89395387
(10aS)-2,3,4,7,8,10a-hexahydro-1H-pyrido[1,2-a]azepin-6-one
CID 11062740
2-ethenyl-3-methyl-1-phenyl-4,5-dihydroindole
CID 167566058
1-(4-methylcyclohex-3-en-1-yl)pyrrolidine
CID 130471845
9-methyl-N-naphthalen-2-yl-5,6-dihydrocarbazol-3-amine
CID 149003548
4-ethyl-1,2-dimethyl-3-[(Z)-prop-1-enyl]-1,2,5,6-tetrahydronaphthalene
CID 143477485

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2,4-dipyrrolidin-1-yl-1,2,3,4,5,6-hexahydropyrimido[4,5-b]indole?
The IUPAC name of 9-methyl-2,4-dipyrrolidin-1-yl-1,2,3,4,5,6-hexahydropyrimido[4,5-b]indole (CID 139683390) is 9-methyl-2,4-dipyrrolidin-1-yl-1,2,3,4,5,6-hexahydropyrimido[4,5-b]indole.
What is the SMILES notation for 9-methyl-2,4-dipyrrolidin-1-yl-1,2,3,4,5,6-hexahydropyrimido[4,5-b]indole?
The canonical SMILES for 9-methyl-2,4-dipyrrolidin-1-yl-1,2,3,4,5,6-hexahydropyrimido[4,5-b]indole is Cn1c2c(c3c1NC(N1CCCC1)NC3N1CCCC1)CCC=C2.
What is the InChIKey of 9-methyl-2,4-dipyrrolidin-1-yl-1,2,3,4,5,6-hexahydropyrimido[4,5-b]indole?
The InChIKey is IDFZQPTXBPUKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5/c1-22-15-9-3-2-8-14(15)16-17(22)20-19(24-12-6-7-13-24)21-18(16)23-10-4-5-11-23/h3,9,18-21H,2,4-8,10-13H2,1H3.
What are the key properties of 9-methyl-2,4-dipyrrolidin-1-yl-1,2,3,4,5,6-hexahydropyrimido[4,5-b]indole?
9-methyl-2,4-dipyrrolidin-1-yl-1,2,3,4,5,6-hexahydropyrimido[4,5-b]indole has a molecular weight of 327.48 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2,4-dipyrrolidin-1-yl-1,2,3,4,5,6-hexahydropyrimido[4,5-b]indole is sourced from PubChem (CID 139683390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).