2,4-bis(benzylamino)indeno[1,2-d]pyrimidin-5-one

C25H20N4O — CID 139230802

IUPAC2,4-bis(benzylamino)indeno[1,2-d]pyrimidin-5-one
SMILESO=C1c2ccccc2-c2nc(NCc3ccccc3)nc(NCc3ccccc3)c21
InChIInChI=1S/C25H20N4O/c30-23-20-14-8-7-13-19(20)22-21(23)24(26-15-17-9-3-1-4-10-17)29-25(28-22)27-16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H2,26,27,28,29)
InChIKeyGIJXSRMKDGCPSN-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.91
Rot. Bonds6

About 2,4-bis(benzylamino)indeno[1,2-d]pyrimidin-5-one

2,4-bis(benzylamino)indeno[1,2-d]pyrimidin-5-one (PubChem CID 139230802) has the molecular formula C25H20N4O and a molecular weight of 392.46 g/mol. Its IUPAC name is 2,4-bis(benzylamino)indeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2,4-bis(benzylamino)indeno[1,2-d]pyrimidin-5-one
PubChem CID139230802
Molecular FormulaC25H20N4O
Molecular Weight392.46 g/mol
Exact Mass392.16
IUPAC Name2,4-bis(benzylamino)indeno[1,2-d]pyrimidin-5-one
SMILESO=C1c2ccccc2-c2nc(NCc3ccccc3)nc(NCc3ccccc3)c21
InChIInChI=1S/C25H20N4O/c30-23-20-14-8-7-13-19(20)22-21(23)24(26-15-17-9-3-1-4-10-17)29-25(28-22)27-16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H2,26,27,28,29)
InChIKeyGIJXSRMKDGCPSN-UHFFFAOYSA-N
XLogP4.91
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
CID 11372871
[1-amino-4-(benzylamino)-9,10-dioxoanthracen-2-yl] thiohypofluorite
CID 54379227
1,4,5,8-tetrakis(benzylamino)anthracene-9,10-dione
CID 154150456
2-N-benzyl-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589426
1-(benzylamino)-4-phenylmethoxyanthracene-9,10-dione
CID 78210307
1-(benzylamino)-4-(butylamino)anthracene-9,10-dione
CID 13380586
2-(benzylamino)-3-(propylamino)naphthalene-1,4-dione
CID 20725728
N-[6-(benzylamino)-7H-purin-2-yl]benzamide
CID 155563377
4-(benzhydrylamino)-2-(benzylamino)-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 57431800
2-N,4-N-dibenzyl-6-chloroquinazoline-2,4-diamine
CID 46224520
2-N,4-N,5-tribenzylpyrimidine-2,4-diamine
CID 95560173
N-benzyl-2-hydrazinyl-7H-purin-6-amine
CID 131856143

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(benzylamino)indeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2,4-bis(benzylamino)indeno[1,2-d]pyrimidin-5-one (CID 139230802) is 2,4-bis(benzylamino)indeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2,4-bis(benzylamino)indeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2,4-bis(benzylamino)indeno[1,2-d]pyrimidin-5-one is O=C1c2ccccc2-c2nc(NCc3ccccc3)nc(NCc3ccccc3)c21.
What is the InChIKey of 2,4-bis(benzylamino)indeno[1,2-d]pyrimidin-5-one?
The InChIKey is GIJXSRMKDGCPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O/c30-23-20-14-8-7-13-19(20)22-21(23)24(26-15-17-9-3-1-4-10-17)29-25(28-22)27-16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H2,26,27,28,29).
What are the key properties of 2,4-bis(benzylamino)indeno[1,2-d]pyrimidin-5-one?
2,4-bis(benzylamino)indeno[1,2-d]pyrimidin-5-one has a molecular weight of 392.46 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(benzylamino)indeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 139230802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).