2-[[8-(benzylamino)-4-(dimethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol

C19H26N8O2 — CID 101170662

IUPAC2-[[8-(benzylamino)-4-(dimethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
SMILESCN(C)c1nc(NCCO)nc2c(NCc3ccccc3)nc(NCCO)nc12
InChIInChI=1S/C19H26N8O2/c1-27(2)17-15-14(23-19(26-17)21-9-11-29)16(25-18(24-15)20-8-10-28)22-12-13-6-4-3-5-7-13/h3-7,28-29H,8-12H2,1-2H3,(H,21,23,26)(H2,20,22,24,25)
InChIKeyVGXWYCWJOKMMTJ-UHFFFAOYSA-N
MW398.47 g/mol
LogP0.91
Rot. Bonds10

About 2-[[8-(benzylamino)-4-(dimethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol

2-[[8-(benzylamino)-4-(dimethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol (PubChem CID 101170662) has the molecular formula C19H26N8O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-[[8-(benzylamino)-4-(dimethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[8-(benzylamino)-4-(dimethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
PubChem CID101170662
Molecular FormulaC19H26N8O2
Molecular Weight398.47 g/mol
Exact Mass398.22
IUPAC Name2-[[8-(benzylamino)-4-(dimethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
SMILESCN(C)c1nc(NCCO)nc2c(NCc3ccccc3)nc(NCCO)nc12
InChIInChI=1S/C19H26N8O2/c1-27(2)17-15-14(23-19(26-17)21-9-11-29)16(25-18(24-15)20-8-10-28)22-12-13-6-4-3-5-7-13/h3-7,28-29H,8-12H2,1-2H3,(H,21,23,26)(H2,20,22,24,25)
InChIKeyVGXWYCWJOKMMTJ-UHFFFAOYSA-N
XLogP0.91
TPSA131.35 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 50.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 2-[[8-(benzylamino)-4-(dimethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol with MolForge

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Related Compounds

2-[[4-(benzylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol
CID 134520409
2-[[6-(benzylamino)-9-(trideuteriomethyl)purin-2-yl]amino]ethanol
CID 169445059
2-[[6-(benzylamino)-9-methyl-7H-purin-9-ium-2-yl]amino]ethanol
CID 58635546
2-[[2-(dimethylamino)-4,8-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol;hydrochloride
CID 134520430
2-[[4,8-bis(2,2-dimethylpropylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
CID 24860458
methyl 2-(benzylamino)-4-(dimethylamino)-8-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidine-6-carboxylate
CID 56958184
2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
CID 11372871
2-[[4-(dimethylamino)-2-(prop-2-enylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
CID 134520169
2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]ethanol
CID 70219818
2-N-benzyl-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589426
2-[[4-(dimethylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 67172901
2-[6-(benzylamino)-2-[(4-bromophenyl)methylamino]purin-9-yl]ethanol
CID 10503846

Frequently Asked Questions

What is the IUPAC name of 2-[[8-(benzylamino)-4-(dimethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol?
The IUPAC name of 2-[[8-(benzylamino)-4-(dimethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol (CID 101170662) is 2-[[8-(benzylamino)-4-(dimethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol.
What is the SMILES notation for 2-[[8-(benzylamino)-4-(dimethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol?
The canonical SMILES for 2-[[8-(benzylamino)-4-(dimethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol is CN(C)c1nc(NCCO)nc2c(NCc3ccccc3)nc(NCCO)nc12.
What is the InChIKey of 2-[[8-(benzylamino)-4-(dimethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol?
The InChIKey is VGXWYCWJOKMMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N8O2/c1-27(2)17-15-14(23-19(26-17)21-9-11-29)16(25-18(24-15)20-8-10-28)22-12-13-6-4-3-5-7-13/h3-7,28-29H,8-12H2,1-2H3,(H,21,23,26)(H2,20,22,24,25).
What are the key properties of 2-[[8-(benzylamino)-4-(dimethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol?
2-[[8-(benzylamino)-4-(dimethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol has a molecular weight of 398.47 g/mol, XLogP of 0.91, 10 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-(benzylamino)-4-(dimethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol is sourced from PubChem (CID 101170662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).