2-amino-5-[4-(dimethylamino)phenyl]-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione

C19H19N5O2 — CID 135659168

IUPAC2-amino-5-[4-(dimethylamino)phenyl]-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione
SMILESCN(C)c1ccc(-c2c3c(nc4nc(N)[nH]c(=O)c24)CCCC3=O)cc1
InChIInChI=1S/C19H19N5O2/c1-24(2)11-8-6-10(7-9-11)14-15-12(4-3-5-13(15)25)21-17-16(14)18(26)23-19(20)22-17/h6-9H,3-5H2,1-2H3,(H3,20,21,22,23,26)
InChIKeySMTFPZLANPRBIL-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.15
Rot. Bonds2

About 2-amino-5-[4-(dimethylamino)phenyl]-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione

2-amino-5-[4-(dimethylamino)phenyl]-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione (PubChem CID 135659168) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-amino-5-[4-(dimethylamino)phenyl]-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione.

Molecular Properties

Compound Name2-amino-5-[4-(dimethylamino)phenyl]-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione
PubChem CID135659168
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name2-amino-5-[4-(dimethylamino)phenyl]-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione
SMILESCN(C)c1ccc(-c2c3c(nc4nc(N)[nH]c(=O)c24)CCCC3=O)cc1
InChIInChI=1S/C19H19N5O2/c1-24(2)11-8-6-10(7-9-11)14-15-12(4-3-5-13(15)25)21-17-16(14)18(26)23-19(20)22-17/h6-9H,3-5H2,1-2H3,(H3,20,21,22,23,26)
InChIKeySMTFPZLANPRBIL-UHFFFAOYSA-N
XLogP2.15
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-(dimethylamino)phenyl]-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione?
The IUPAC name of 2-amino-5-[4-(dimethylamino)phenyl]-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione (CID 135659168) is 2-amino-5-[4-(dimethylamino)phenyl]-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione.
What is the SMILES notation for 2-amino-5-[4-(dimethylamino)phenyl]-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione?
The canonical SMILES for 2-amino-5-[4-(dimethylamino)phenyl]-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione is CN(C)c1ccc(-c2c3c(nc4nc(N)[nH]c(=O)c24)CCCC3=O)cc1.
What is the InChIKey of 2-amino-5-[4-(dimethylamino)phenyl]-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione?
The InChIKey is SMTFPZLANPRBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-24(2)11-8-6-10(7-9-11)14-15-12(4-3-5-13(15)25)21-17-16(14)18(26)23-19(20)22-17/h6-9H,3-5H2,1-2H3,(H3,20,21,22,23,26).
What are the key properties of 2-amino-5-[4-(dimethylamino)phenyl]-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione?
2-amino-5-[4-(dimethylamino)phenyl]-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione has a molecular weight of 349.39 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-(dimethylamino)phenyl]-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione is sourced from PubChem (CID 135659168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).