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

C24H35N9O — CID 146293364

IUPAC2-[[2-amino-7-[2-[(4-methylpiperazin-1-yl)methyl]pyrimidin-5-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol
SMILESCCCCC(C)(CO)Nc1nc(N)nc2cc(-c3cnc(CN4CCN(C)CC4)nc3)cnc12
InChIInChI=1S/C24H35N9O/c1-4-5-6-24(2,16-34)31-22-21-19(29-23(25)30-22)11-17(12-28-21)18-13-26-20(27-14-18)15-33-9-7-32(3)8-10-33/h11-14,34H,4-10,15-16H2,1-3H3,(H3,25,29,30,31)
InChIKeyLMLRLLCCFARTCI-UHFFFAOYSA-N
MW465.61 g/mol
LogP2.16
Rot. Bonds9

About 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

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 (PubChem CID 146293364) has the molecular formula C24H35N9O and a molecular weight of 465.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[2-amino-7-[2-[(4-methylpiperazin-1-yl)methyl]pyrimidin-5-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol
PubChem CID146293364
Molecular FormulaC24H35N9O
Molecular Weight465.61 g/mol
Exact Mass465.30
IUPAC Name2-[[2-amino-7-[2-[(4-methylpiperazin-1-yl)methyl]pyrimidin-5-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol
SMILESCCCCC(C)(CO)Nc1nc(N)nc2cc(-c3cnc(CN4CCN(C)CC4)nc3)cnc12
InChIInChI=1S/C24H35N9O/c1-4-5-6-24(2,16-34)31-22-21-19(29-23(25)30-22)11-17(12-28-21)18-13-26-20(27-14-18)15-33-9-7-32(3)8-10-33/h11-14,34H,4-10,15-16H2,1-3H3,(H3,25,29,30,31)
InChIKeyLMLRLLCCFARTCI-UHFFFAOYSA-N
XLogP2.16
TPSA129.21 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.61
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCC(C)(CO)Nc1nc(N)nc2cc(-c3cnc(CN4CCN(C)CC4)nc3)cnc12.
What is the InChIKey of 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?
The InChIKey is LMLRLLCCFARTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N9O/c1-4-5-6-24(2,16-34)31-22-21-19(29-23(25)30-22)11-17(12-28-21)18-13-26-20(27-14-18)15-33-9-7-32(3)8-10-33/h11-14,34H,4-10,15-16H2,1-3H3,(H3,25,29,30,31).
What are the key properties of 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?
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 has a molecular weight of 465.61 g/mol, XLogP of 2.16, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146293364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).