2-amino-8-[2-(dimethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one

C21H20N4O2 — CID 46889252

IUPAC2-amino-8-[2-(dimethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one
SMILESCN(C)CCOc1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O
InChIInChI=1S/C21H20N4O2/c1-25(2)10-11-27-14-8-9-15-16(12-14)19-17(20(15)26)18(23-21(22)24-19)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H2,22,23,24)
InChIKeyKSTJTXFKYKEBRB-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.88
Rot. Bonds5

About 2-amino-8-[2-(dimethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one

2-amino-8-[2-(dimethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one (PubChem CID 46889252) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-amino-8-[2-(dimethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-8-[2-(dimethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one
PubChem CID46889252
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-amino-8-[2-(dimethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one
SMILESCN(C)CCOc1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O
InChIInChI=1S/C21H20N4O2/c1-25(2)10-11-27-14-8-9-15-16(12-14)19-17(20(15)26)18(23-21(22)24-19)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H2,22,23,24)
InChIKeyKSTJTXFKYKEBRB-UHFFFAOYSA-N
XLogP2.88
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide
CID 46889205
2-amino-8-(morpholin-4-ylmethyl)-4-phenylindeno[1,2-d]pyrimidin-5-one
CID 54760221
N,N-dimethyl-2-(3-phenylphenoxy)ethanamine
CID 14105422
2-[2-(dimethylamino)ethoxy]-7-fluorofluoren-9-one
CID 82579503
2,7-bis[2-(dimethylamino)ethoxy]-10H-phenanthren-9-one
CID 57439818
6-[3-(dimethylamino)propoxy]-3-phenyl-2-pyridin-3-ylinden-1-one;hydrochloride
CID 70314029
9-[2-(dimethylamino)ethoxy]-6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 24881885
2-[[7-[2-(dimethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-dimethylethanamine
CID 11393658
2-amino-9-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenylindeno[1,2-d]pyrimidin-5-one
CID 58245797
8-[2-(dimethylamino)ethoxy]-6-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione
CID 25015442
6-[4-[2-(diethylamino)ethoxy]phenyl]-4-N-(2-methoxyphenyl)-5-phenylpyrimidine-2,4-diamine
CID 68592866
6-[2-(dimethylamino)ethoxy]-2-phenylchromen-4-one
CID 14982949

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-[2-(dimethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-8-[2-(dimethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one (CID 46889252) is 2-amino-8-[2-(dimethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-8-[2-(dimethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-8-[2-(dimethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one is CN(C)CCOc1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O.
What is the InChIKey of 2-amino-8-[2-(dimethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one?
The InChIKey is KSTJTXFKYKEBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-25(2)10-11-27-14-8-9-15-16(12-14)19-17(20(15)26)18(23-21(22)24-19)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H2,22,23,24).
What are the key properties of 2-amino-8-[2-(dimethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one?
2-amino-8-[2-(dimethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one has a molecular weight of 360.42 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-[2-(dimethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 46889252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).