6-(1-methoxyethyl)-2-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]-8-N-propylpyrido[3,4-d]pyrimidine-2,8-diamine

C23H32N8O — CID 134585767

IUPAC6-(1-methoxyethyl)-2-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]-8-N-propylpyrido[3,4-d]pyrimidine-2,8-diamine
SMILESCCCNc1nc(C(C)OC)cc2cnc(Nc3ccc(CN4CCNCC4)cn3)nc12
InChIInChI=1S/C23H32N8O/c1-4-7-25-22-21-18(12-19(28-22)16(2)32-3)14-27-23(30-21)29-20-6-5-17(13-26-20)15-31-10-8-24-9-11-31/h5-6,12-14,16,24H,4,7-11,15H2,1-3H3,(H,25,28)(H,26,27,29,30)
InChIKeyZRUJNKPOSMPLOD-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.10
Rot. Bonds9

About 6-(1-methoxyethyl)-2-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]-8-N-propylpyrido[3,4-d]pyrimidine-2,8-diamine

6-(1-methoxyethyl)-2-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]-8-N-propylpyrido[3,4-d]pyrimidine-2,8-diamine (PubChem CID 134585767) has the molecular formula C23H32N8O and a molecular weight of 436.56 g/mol. Its IUPAC name is 6-(1-methoxyethyl)-2-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]-8-N-propylpyrido[3,4-d]pyrimidine-2,8-diamine.

Molecular Properties

Compound Name6-(1-methoxyethyl)-2-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]-8-N-propylpyrido[3,4-d]pyrimidine-2,8-diamine
PubChem CID134585767
Molecular FormulaC23H32N8O
Molecular Weight436.56 g/mol
Exact Mass436.27
IUPAC Name6-(1-methoxyethyl)-2-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]-8-N-propylpyrido[3,4-d]pyrimidine-2,8-diamine
SMILESCCCNc1nc(C(C)OC)cc2cnc(Nc3ccc(CN4CCNCC4)cn3)nc12
InChIInChI=1S/C23H32N8O/c1-4-7-25-22-21-18(12-19(28-22)16(2)32-3)14-27-23(30-21)29-20-6-5-17(13-26-20)15-31-10-8-24-9-11-31/h5-6,12-14,16,24H,4,7-11,15H2,1-3H3,(H,25,28)(H,26,27,29,30)
InChIKeyZRUJNKPOSMPLOD-UHFFFAOYSA-N
XLogP3.10
TPSA100.12 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-(1-methoxyethyl)-2-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]-8-N-propylpyrido[3,4-d]pyrimidine-2,8-diamine with MolForge

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Related Compounds

6-(1-methoxyethyl)-8-N-(oxan-4-ylmethyl)-2-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrido[3,4-d]pyrimidine-2,8-diamine
CID 134586427
4-[[6-[[6-(1-methoxyethyl)-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-2-yl]amino]-3-pyridinyl]methyl]piperazine-1-carboxylic acid
CID 139529076
6-[(1R)-1-methoxyethyl]-2-N-(5-piperazin-1-ylpyrazin-2-yl)-8-N-propan-2-ylpyrido[3,4-d]pyrimidine-2,8-diamine
CID 134586228
(1R)-1-[2-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol
CID 140876675
(1R)-1-[8-(cyclobutylamino)-2-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]amino]pyrido[3,4-d]pyrimidin-6-yl]ethanol
CID 140876615
(1R)-1-[8-(azepan-1-yl)-2-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]amino]pyrido[3,4-d]pyrimidin-6-yl]ethanol
CID 139529510
1-[[6-[[6-(1-hydroxyethyl)-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-yl]amino]-3-pyridinyl]methyl]piperidin-4-ol
CID 139529523
1-[8-(3,4-dimethylpyrrolidin-1-yl)-2-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]amino]pyrido[3,4-d]pyrimidin-6-yl]ethanol
CID 175243539
1-[2-[[5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-2-pyridinyl]amino]-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-6-yl]ethanol
CID 139529554
1-[6-(1-hydroxyethyl)-2-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrido[3,4-d]pyrimidin-8-yl]piperidin-4-ol
CID 139529206
5-fluoro-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]-4-(1-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl)pyrimidin-2-amine;hydrochloride
CID 156784264
5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine
CID 139357206

Frequently Asked Questions

What is the IUPAC name of 6-(1-methoxyethyl)-2-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]-8-N-propylpyrido[3,4-d]pyrimidine-2,8-diamine?
The IUPAC name of 6-(1-methoxyethyl)-2-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]-8-N-propylpyrido[3,4-d]pyrimidine-2,8-diamine (CID 134585767) is 6-(1-methoxyethyl)-2-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]-8-N-propylpyrido[3,4-d]pyrimidine-2,8-diamine.
What is the SMILES notation for 6-(1-methoxyethyl)-2-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]-8-N-propylpyrido[3,4-d]pyrimidine-2,8-diamine?
The canonical SMILES for 6-(1-methoxyethyl)-2-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]-8-N-propylpyrido[3,4-d]pyrimidine-2,8-diamine is CCCNc1nc(C(C)OC)cc2cnc(Nc3ccc(CN4CCNCC4)cn3)nc12.
What is the InChIKey of 6-(1-methoxyethyl)-2-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]-8-N-propylpyrido[3,4-d]pyrimidine-2,8-diamine?
The InChIKey is ZRUJNKPOSMPLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N8O/c1-4-7-25-22-21-18(12-19(28-22)16(2)32-3)14-27-23(30-21)29-20-6-5-17(13-26-20)15-31-10-8-24-9-11-31/h5-6,12-14,16,24H,4,7-11,15H2,1-3H3,(H,25,28)(H,26,27,29,30).
What are the key properties of 6-(1-methoxyethyl)-2-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]-8-N-propylpyrido[3,4-d]pyrimidine-2,8-diamine?
6-(1-methoxyethyl)-2-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]-8-N-propylpyrido[3,4-d]pyrimidine-2,8-diamine has a molecular weight of 436.56 g/mol, XLogP of 3.10, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methoxyethyl)-2-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]-8-N-propylpyrido[3,4-d]pyrimidine-2,8-diamine is sourced from PubChem (CID 134585767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).