8-N-methyl-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizine-4,8-diamine

C20H20N6 — CID 86711284

IUPAC8-N-methyl-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizine-4,8-diamine
SMILESCNC1CCc2c(-c3cnc4ccccc4c3)c3c(N)ncnc3n2C1
InChIInChI=1S/C20H20N6/c1-22-14-6-7-16-17(13-8-12-4-2-3-5-15(12)23-9-13)18-19(21)24-11-25-20(18)26(16)10-14/h2-5,8-9,11,14,22H,6-7,10H2,1H3,(H2,21,24,25)
InChIKeySMBUOHGVVRUATN-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.76
Rot. Bonds2

About 8-N-methyl-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizine-4,8-diamine

8-N-methyl-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizine-4,8-diamine (PubChem CID 86711284) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 8-N-methyl-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizine-4,8-diamine.

Molecular Properties

Compound Name8-N-methyl-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizine-4,8-diamine
PubChem CID86711284
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name8-N-methyl-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizine-4,8-diamine
SMILESCNC1CCc2c(-c3cnc4ccccc4c3)c3c(N)ncnc3n2C1
InChIInChI=1S/C20H20N6/c1-22-14-6-7-16-17(13-8-12-4-2-3-5-15(12)23-9-13)18-19(21)24-11-25-20(18)26(16)10-14/h2-5,8-9,11,14,22H,6-7,10H2,1H3,(H2,21,24,25)
InChIKeySMBUOHGVVRUATN-UHFFFAOYSA-N
XLogP2.76
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-N-methyl-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizine-4,8-diamine?
The IUPAC name of 8-N-methyl-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizine-4,8-diamine (CID 86711284) is 8-N-methyl-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizine-4,8-diamine.
What is the SMILES notation for 8-N-methyl-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizine-4,8-diamine?
The canonical SMILES for 8-N-methyl-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizine-4,8-diamine is CNC1CCc2c(-c3cnc4ccccc4c3)c3c(N)ncnc3n2C1.
What is the InChIKey of 8-N-methyl-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizine-4,8-diamine?
The InChIKey is SMBUOHGVVRUATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-22-14-6-7-16-17(13-8-12-4-2-3-5-15(12)23-9-13)18-19(21)24-11-25-20(18)26(16)10-14/h2-5,8-9,11,14,22H,6-7,10H2,1H3,(H2,21,24,25).
What are the key properties of 8-N-methyl-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizine-4,8-diamine?
8-N-methyl-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizine-4,8-diamine has a molecular weight of 344.42 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-methyl-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizine-4,8-diamine is sourced from PubChem (CID 86711284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).