2-[[2-amino-7-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol

C24H34N8O — CID 156578429

IUPAC2-[[2-amino-7-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol
SMILESCCCCC(CO)Nc1nc(N)nc2cc(-c3ccc(CN4CCN(C)CC4)nc3)cnc12
InChIInChI=1S/C24H34N8O/c1-3-4-5-20(16-33)28-23-22-21(29-24(25)30-23)12-18(14-27-22)17-6-7-19(26-13-17)15-32-10-8-31(2)9-11-32/h6-7,12-14,20,33H,3-5,8-11,15-16H2,1-2H3,(H3,25,28,29,30)
InChIKeyGUWQAVMVOTVKJN-UHFFFAOYSA-N
MW450.59 g/mol
LogP2.38
Rot. Bonds9

About 2-[[2-amino-7-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol

2-[[2-amino-7-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol (PubChem CID 156578429) has the molecular formula C24H34N8O and a molecular weight of 450.59 g/mol. Its IUPAC name is 2-[[2-amino-7-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol.

Molecular Properties

Compound Name2-[[2-amino-7-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol
PubChem CID156578429
Molecular FormulaC24H34N8O
Molecular Weight450.59 g/mol
Exact Mass450.29
IUPAC Name2-[[2-amino-7-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol
SMILESCCCCC(CO)Nc1nc(N)nc2cc(-c3ccc(CN4CCN(C)CC4)nc3)cnc12
InChIInChI=1S/C24H34N8O/c1-3-4-5-20(16-33)28-23-22-21(29-24(25)30-23)12-18(14-27-22)17-6-7-19(26-13-17)15-32-10-8-31(2)9-11-32/h6-7,12-14,20,33H,3-5,8-11,15-16H2,1-2H3,(H3,25,28,29,30)
InChIKeyGUWQAVMVOTVKJN-UHFFFAOYSA-N
XLogP2.38
TPSA116.32 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[[2-amino-7-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

2-[[2-amino-7-[2-[(4-methylpiperazin-1-yl)methyl]pyrimidin-5-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol
CID 146293364
(2R)-2-[(2-amino-7-ethoxyquinazolin-4-yl)amino]hexan-1-ol
CID 157344193
2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 122584957
(2S)-2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 122585335
(2S)-2-[(2-amino-6-methylquinazolin-4-yl)amino]hexan-1-ol
CID 71041915
(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;sulfane
CID 158174222
(2S)-2-[(2-amino-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 129103735
2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 122585046
(2S)-2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 122585216
(2R)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 121402889
(2S)-2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 122598706
3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol
CID 175081415

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-7-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol?
The IUPAC name of 2-[[2-amino-7-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol (CID 156578429) is 2-[[2-amino-7-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol.
What is the SMILES notation for 2-[[2-amino-7-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol?
The canonical SMILES for 2-[[2-amino-7-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol is CCCCC(CO)Nc1nc(N)nc2cc(-c3ccc(CN4CCN(C)CC4)nc3)cnc12.
What is the InChIKey of 2-[[2-amino-7-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol?
The InChIKey is GUWQAVMVOTVKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N8O/c1-3-4-5-20(16-33)28-23-22-21(29-24(25)30-23)12-18(14-27-22)17-6-7-19(26-13-17)15-32-10-8-31(2)9-11-32/h6-7,12-14,20,33H,3-5,8-11,15-16H2,1-2H3,(H3,25,28,29,30).
What are the key properties of 2-[[2-amino-7-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol?
2-[[2-amino-7-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol has a molecular weight of 450.59 g/mol, XLogP of 2.38, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-7-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol is sourced from PubChem (CID 156578429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).