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

C12H21ClN8O — CID 134520430

IUPAC2-[[2-(dimethylamino)-4,8-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol;hydrochloride
SMILESCNc1nc(N(C)C)nc2c(NC)nc(NCCO)nc12.Cl
InChIInChI=1S/C12H20N8O.ClH/c1-13-9-8-7(16-11(18-9)15-5-6-21)10(14-2)19-12(17-8)20(3)4;/h21H,5-6H2,1-4H3,(H,14,17,19)(H2,13,15,16,18);1H
InChIKeyAXYIEUDVEDNRLB-UHFFFAOYSA-N
MW328.81 g/mol
LogP0.40
Rot. Bonds6

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

2-[[2-(dimethylamino)-4,8-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol;hydrochloride (PubChem CID 134520430) has the molecular formula C12H21ClN8O and a molecular weight of 328.81 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)-4,8-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[[2-(dimethylamino)-4,8-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol;hydrochloride
PubChem CID134520430
Molecular FormulaC12H21ClN8O
Molecular Weight328.81 g/mol
Exact Mass328.15
IUPAC Name2-[[2-(dimethylamino)-4,8-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol;hydrochloride
SMILESCNc1nc(N(C)C)nc2c(NC)nc(NCCO)nc12.Cl
InChIInChI=1S/C12H20N8O.ClH/c1-13-9-8-7(16-11(18-9)15-5-6-21)10(14-2)19-12(17-8)20(3)4;/h21H,5-6H2,1-4H3,(H,14,17,19)(H2,13,15,16,18);1H
InChIKeyAXYIEUDVEDNRLB-UHFFFAOYSA-N
XLogP0.40
TPSA111.12 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.81
LogP ≤ 50.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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

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Related Compounds

2-[[4-(dimethylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 67172901
4-N,8-N-dimethyl-2-N,6-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride
CID 90456592
2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 80765149
2-[[4,8-bis(2,2-dimethylpropylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
CID 24860458
2-[[4-[cyclopropyl(methyl)amino]-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol;hydrochloride
CID 134520383
2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 58763740
2-[[8-(benzylamino)-4-(dimethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
CID 101170662
3-[[4,8-bis(methylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propane-1,2-diol;hydrochloride
CID 134520131
2-[[4-(cyclopropylmethylamino)-2-(dimethylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol;hydrochloride
CID 134520388
4-N,8-N-dimethyl-2-N,6-N-bis(prop-2-enyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride
CID 118864845
2-methyl-1-[[4,6,8-tris(methylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride
CID 134520334
2-[[4-(2-methoxyethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol
CID 134520330

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)-4,8-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol;hydrochloride?
The IUPAC name of 2-[[2-(dimethylamino)-4,8-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol;hydrochloride (CID 134520430) is 2-[[2-(dimethylamino)-4,8-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol;hydrochloride.
What is the SMILES notation for 2-[[2-(dimethylamino)-4,8-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol;hydrochloride?
The canonical SMILES for 2-[[2-(dimethylamino)-4,8-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol;hydrochloride is CNc1nc(N(C)C)nc2c(NC)nc(NCCO)nc12.Cl.
What is the InChIKey of 2-[[2-(dimethylamino)-4,8-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol;hydrochloride?
The InChIKey is AXYIEUDVEDNRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N8O.ClH/c1-13-9-8-7(16-11(18-9)15-5-6-21)10(14-2)19-12(17-8)20(3)4;/h21H,5-6H2,1-4H3,(H,14,17,19)(H2,13,15,16,18);1H.
What are the key properties of 2-[[2-(dimethylamino)-4,8-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol;hydrochloride?
2-[[2-(dimethylamino)-4,8-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol;hydrochloride has a molecular weight of 328.81 g/mol, XLogP of 0.40, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)-4,8-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol;hydrochloride is sourced from PubChem (CID 134520430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).