(8S)-5-(2-deuterioquinolin-3-yl)-6-methyl-8,9-dihydropyrimido[5,4-b]indolizine-4,8-diamine

C20H18N6 — CID 167439544

IUPAC(8S)-5-(2-deuterioquinolin-3-yl)-6-methyl-8,9-dihydropyrimido[5,4-b]indolizine-4,8-diamine
SMILES[2H]c1nc2ccccc2cc1-c1c2n(c3ncnc(N)c13)C[C@@H](N)C=C2C
InChIInChI=1S/C20H18N6/c1-11-6-14(21)9-26-18(11)16(17-19(22)24-10-25-20(17)26)13-7-12-4-2-3-5-15(12)23-8-13/h2-8,10,14H,9,21H2,1H3,(H2,22,24,25)/t14-/m0/s1/i8D
InChIKeyGYBYHQNFFACLLM-PLOWURINSA-N
MW343.41 g/mol
LogP2.97
Rot. Bonds1

About (8S)-5-(2-deuterioquinolin-3-yl)-6-methyl-8,9-dihydropyrimido[5,4-b]indolizine-4,8-diamine

(8S)-5-(2-deuterioquinolin-3-yl)-6-methyl-8,9-dihydropyrimido[5,4-b]indolizine-4,8-diamine (PubChem CID 167439544) has the molecular formula C20H18N6 and a molecular weight of 343.41 g/mol. Its IUPAC name is (8S)-5-(2-deuterioquinolin-3-yl)-6-methyl-8,9-dihydropyrimido[5,4-b]indolizine-4,8-diamine.

Molecular Properties

Compound Name(8S)-5-(2-deuterioquinolin-3-yl)-6-methyl-8,9-dihydropyrimido[5,4-b]indolizine-4,8-diamine
PubChem CID167439544
Molecular FormulaC20H18N6
Molecular Weight343.41 g/mol
Exact Mass343.17
IUPAC Name(8S)-5-(2-deuterioquinolin-3-yl)-6-methyl-8,9-dihydropyrimido[5,4-b]indolizine-4,8-diamine
SMILES[2H]c1nc2ccccc2cc1-c1c2n(c3ncnc(N)c13)C[C@@H](N)C=C2C
InChIInChI=1S/C20H18N6/c1-11-6-14(21)9-26-18(11)16(17-19(22)24-10-25-20(17)26)13-7-12-4-2-3-5-15(12)23-8-13/h2-8,10,14H,9,21H2,1H3,(H2,22,24,25)/t14-/m0/s1/i8D
InChIKeyGYBYHQNFFACLLM-PLOWURINSA-N
XLogP2.97
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (8S)-5-(2-deuterioquinolin-3-yl)-6-methyl-8,9-dihydropyrimido[5,4-b]indolizine-4,8-diamine?
The IUPAC name of (8S)-5-(2-deuterioquinolin-3-yl)-6-methyl-8,9-dihydropyrimido[5,4-b]indolizine-4,8-diamine (CID 167439544) is (8S)-5-(2-deuterioquinolin-3-yl)-6-methyl-8,9-dihydropyrimido[5,4-b]indolizine-4,8-diamine.
What is the SMILES notation for (8S)-5-(2-deuterioquinolin-3-yl)-6-methyl-8,9-dihydropyrimido[5,4-b]indolizine-4,8-diamine?
The canonical SMILES for (8S)-5-(2-deuterioquinolin-3-yl)-6-methyl-8,9-dihydropyrimido[5,4-b]indolizine-4,8-diamine is [2H]c1nc2ccccc2cc1-c1c2n(c3ncnc(N)c13)C[C@@H](N)C=C2C.
What is the InChIKey of (8S)-5-(2-deuterioquinolin-3-yl)-6-methyl-8,9-dihydropyrimido[5,4-b]indolizine-4,8-diamine?
The InChIKey is GYBYHQNFFACLLM-PLOWURINSA-N. The full InChI is InChI=1S/C20H18N6/c1-11-6-14(21)9-26-18(11)16(17-19(22)24-10-25-20(17)26)13-7-12-4-2-3-5-15(12)23-8-13/h2-8,10,14H,9,21H2,1H3,(H2,22,24,25)/t14-/m0/s1/i8D.
What are the key properties of (8S)-5-(2-deuterioquinolin-3-yl)-6-methyl-8,9-dihydropyrimido[5,4-b]indolizine-4,8-diamine?
(8S)-5-(2-deuterioquinolin-3-yl)-6-methyl-8,9-dihydropyrimido[5,4-b]indolizine-4,8-diamine has a molecular weight of 343.41 g/mol, XLogP of 2.97, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-5-(2-deuterioquinolin-3-yl)-6-methyl-8,9-dihydropyrimido[5,4-b]indolizine-4,8-diamine is sourced from PubChem (CID 167439544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).