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

C17H22N8O — CID 134520409

IUPAC2-[[4-(benzylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol
SMILESCNc1nc(NCc2ccccc2)c2nc(NC)nc(NCCO)c2n1
InChIInChI=1S/C17H22N8O/c1-18-16-23-13-12(14(24-16)20-8-9-26)22-17(19-2)25-15(13)21-10-11-6-4-3-5-7-11/h3-7,26H,8-10H2,1-2H3,(H2,18,20,23,24)(H2,19,21,22,25)
InChIKeyMLCDCLVQEZKLPW-UHFFFAOYSA-N
MW354.42 g/mol
LogP1.52
Rot. Bonds8

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

2-[[4-(benzylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol (PubChem CID 134520409) has the molecular formula C17H22N8O and a molecular weight of 354.42 g/mol. Its IUPAC name is 2-[[4-(benzylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(benzylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol
PubChem CID134520409
Molecular FormulaC17H22N8O
Molecular Weight354.42 g/mol
Exact Mass354.19
IUPAC Name2-[[4-(benzylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol
SMILESCNc1nc(NCc2ccccc2)c2nc(NC)nc(NCCO)c2n1
InChIInChI=1S/C17H22N8O/c1-18-16-23-13-12(14(24-16)20-8-9-26)22-17(19-2)25-15(13)21-10-11-6-4-3-5-7-11/h3-7,26H,8-10H2,1-2H3,(H2,18,20,23,24)(H2,19,21,22,25)
InChIKeyMLCDCLVQEZKLPW-UHFFFAOYSA-N
XLogP1.52
TPSA119.91 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 51.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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

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Related Compounds

2-[[8-(benzylamino)-4-(dimethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
CID 101170662
2-[[4-(2-methoxyethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol
CID 134520330
2-[[6-(benzylamino)-9-(trideuteriomethyl)purin-2-yl]amino]ethanol
CID 169445059
3-[[8-(ethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol
CID 134520273
2-N-[(3,4-dichlorophenyl)methyl]-6-N-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride
CID 90456696
4-N-benzyl-2-N,6-dimethylquinazoline-2,4-diamine
CID 138683087
2-[[6-(benzylamino)-9-methyl-7H-purin-9-ium-2-yl]amino]ethanol
CID 58635546
2-[[4-[cyclopropyl(methyl)amino]-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol;hydrochloride
CID 134520383
4-N-[(4-chlorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine
CID 80750131
2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 58763740
2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
CID 11372871
3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]propan-1-ol
CID 158342375

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(benzylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol?
The IUPAC name of 2-[[4-(benzylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol (CID 134520409) is 2-[[4-(benzylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(benzylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(benzylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol is CNc1nc(NCc2ccccc2)c2nc(NC)nc(NCCO)c2n1.
What is the InChIKey of 2-[[4-(benzylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol?
The InChIKey is MLCDCLVQEZKLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8O/c1-18-16-23-13-12(14(24-16)20-8-9-26)22-17(19-2)25-15(13)21-10-11-6-4-3-5-7-11/h3-7,26H,8-10H2,1-2H3,(H2,18,20,23,24)(H2,19,21,22,25).
What are the key properties of 2-[[4-(benzylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol?
2-[[4-(benzylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol has a molecular weight of 354.42 g/mol, XLogP of 1.52, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(benzylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol is sourced from PubChem (CID 134520409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).