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

C22H20N4O2 — CID 54760221

IUPAC2-amino-8-(morpholin-4-ylmethyl)-4-phenylindeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccccc2)c2c(n1)-c1cc(CN3CCOCC3)ccc1C2=O
InChIInChI=1S/C22H20N4O2/c23-22-24-19(15-4-2-1-3-5-15)18-20(25-22)17-12-14(6-7-16(17)21(18)27)13-26-8-10-28-11-9-26/h1-7,12H,8-11,13H2,(H2,23,24,25)
InChIKeyRZGBHCANSIXSIA-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.77
Rot. Bonds3

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

2-amino-8-(morpholin-4-ylmethyl)-4-phenylindeno[1,2-d]pyrimidin-5-one (PubChem CID 54760221) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-amino-8-(morpholin-4-ylmethyl)-4-phenylindeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-8-(morpholin-4-ylmethyl)-4-phenylindeno[1,2-d]pyrimidin-5-one
PubChem CID54760221
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name2-amino-8-(morpholin-4-ylmethyl)-4-phenylindeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccccc2)c2c(n1)-c1cc(CN3CCOCC3)ccc1C2=O
InChIInChI=1S/C22H20N4O2/c23-22-24-19(15-4-2-1-3-5-15)18-20(25-22)17-12-14(6-7-16(17)21(18)27)13-26-8-10-28-11-9-26/h1-7,12H,8-11,13H2,(H2,23,24,25)
InChIKeyRZGBHCANSIXSIA-UHFFFAOYSA-N
XLogP2.77
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-phenyl-8-(3-pyridin-2-ylpropyl)indeno[1,2-d]pyrimidin-5-one;8-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methyl-4-phenylindeno[1,2-d]pyrimidin-5-one;2-methyl-4-phenyl-8-(pyrrolidin-1-ylmethyl)indeno[1,2-d]pyrimidin-5-one
CID 158779574
5-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine
CID 66637304
4-[3-(morpholin-4-ylmethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 74244355
2-amino-4-(4-fluorophenyl)-9-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indeno[1,2-d]pyrimidin-5-one
CID 52920358
2-amino-8-[2-(dimethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one
CID 46889252
2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide
CID 46889205
2-[3-(morpholin-4-ylmethyl)phenyl]benzoic acid
CID 39226434
2,4-diamino-6-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-5-carbonitrile
CID 169396460
4-[3-(morpholin-4-ylmethyl)phenyl]pyridin-3-amine
CID 72852250
13-[(1,3,4-triphenylpyrazolo[3,4-b]quinolin-6-yl)methyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 90756534
[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine
CID 39226421
2-amino-6-benzyl-4-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,5]oxazocin-5-one
CID 23594877

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-(morpholin-4-ylmethyl)-4-phenylindeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-8-(morpholin-4-ylmethyl)-4-phenylindeno[1,2-d]pyrimidin-5-one (CID 54760221) is 2-amino-8-(morpholin-4-ylmethyl)-4-phenylindeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-8-(morpholin-4-ylmethyl)-4-phenylindeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-8-(morpholin-4-ylmethyl)-4-phenylindeno[1,2-d]pyrimidin-5-one is Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CN3CCOCC3)ccc1C2=O.
What is the InChIKey of 2-amino-8-(morpholin-4-ylmethyl)-4-phenylindeno[1,2-d]pyrimidin-5-one?
The InChIKey is RZGBHCANSIXSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c23-22-24-19(15-4-2-1-3-5-15)18-20(25-22)17-12-14(6-7-16(17)21(18)27)13-26-8-10-28-11-9-26/h1-7,12H,8-11,13H2,(H2,23,24,25).
What are the key properties of 2-amino-8-(morpholin-4-ylmethyl)-4-phenylindeno[1,2-d]pyrimidin-5-one?
2-amino-8-(morpholin-4-ylmethyl)-4-phenylindeno[1,2-d]pyrimidin-5-one has a molecular weight of 372.43 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-(morpholin-4-ylmethyl)-4-phenylindeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 54760221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).