N-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]pteridin-4-yl]amino]-2-methylhexyl]acetamide

C24H33N7O3 — CID 134305708

IUPACN-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]pteridin-4-yl]amino]-2-methylhexyl]acetamide
SMILESCCCCC(C)(CNC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2nccnc12
InChIInChI=1S/C24H33N7O3/c1-6-7-10-24(3,15-28-16(2)32)31-22-20-21(26-12-11-25-20)29-23(30-22)27-14-17-8-9-18(33-4)13-19(17)34-5/h8-9,11-13H,6-7,10,14-15H2,1-5H3,(H,28,32)(H2,26,27,29,30,31)
InChIKeyDQZGVGBNUWPKGA-UHFFFAOYSA-N
MW467.57 g/mol
LogP3.55
Rot. Bonds12

About N-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]pteridin-4-yl]amino]-2-methylhexyl]acetamide

N-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]pteridin-4-yl]amino]-2-methylhexyl]acetamide (PubChem CID 134305708) has the molecular formula C24H33N7O3 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]pteridin-4-yl]amino]-2-methylhexyl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]pteridin-4-yl]amino]-2-methylhexyl]acetamide
PubChem CID134305708
Molecular FormulaC24H33N7O3
Molecular Weight467.57 g/mol
Exact Mass467.26
IUPAC NameN-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]pteridin-4-yl]amino]-2-methylhexyl]acetamide
SMILESCCCCC(C)(CNC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2nccnc12
InChIInChI=1S/C24H33N7O3/c1-6-7-10-24(3,15-28-16(2)32)31-22-20-21(26-12-11-25-20)29-23(30-22)27-14-17-8-9-18(33-4)13-19(17)34-5/h8-9,11-13H,6-7,10,14-15H2,1-5H3,(H,28,32)(H2,26,27,29,30,31)
InChIKeyDQZGVGBNUWPKGA-UHFFFAOYSA-N
XLogP3.55
TPSA123.18 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one
CID 158486047
tert-butyl 4-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-4-methyloctanoate
CID 163945113
N-[2-[(2-aminopteridin-4-yl)amino]-2-methylhexyl]acetamide
CID 134305672
[4-[(1-acetamido-2-methylhexan-2-yl)amino]quinazolin-2-yl]-[(2,4-dimethoxyphenyl)methyl]-methyliodanuidylazanium
CID 163905770
2-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]-2-methylhexan-1-ol
CID 175935294
(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-propan-2-ylpyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one
CID 162257149
[2-[(2,4-dimethoxyphenyl)methylamino]-4-[[(2R)-2-methyl-1-[(1-methylpyrazole-4-carbonyl)amino]hexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]boronic acid
CID 174057147
(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-(1-methylpyrrole-2-carbonyl)pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one
CID 167632181
4-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-2-yl]-2-N-[(2,4-dimethoxyphenyl)methyl]pyrimido[5,4-d]pyrimidine-2,4-diamine
CID 175885835
N-[(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide
CID 134319204
N-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]hexyl]acetamide
CID 134364468
N-[(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroquinazolin-4-yl]amino]hexyl]acetamide
CID 134305651

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]pteridin-4-yl]amino]-2-methylhexyl]acetamide?
The IUPAC name of N-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]pteridin-4-yl]amino]-2-methylhexyl]acetamide (CID 134305708) is N-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]pteridin-4-yl]amino]-2-methylhexyl]acetamide.
What is the SMILES notation for N-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]pteridin-4-yl]amino]-2-methylhexyl]acetamide?
The canonical SMILES for N-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]pteridin-4-yl]amino]-2-methylhexyl]acetamide is CCCCC(C)(CNC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2nccnc12.
What is the InChIKey of N-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]pteridin-4-yl]amino]-2-methylhexyl]acetamide?
The InChIKey is DQZGVGBNUWPKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O3/c1-6-7-10-24(3,15-28-16(2)32)31-22-20-21(26-12-11-25-20)29-23(30-22)27-14-17-8-9-18(33-4)13-19(17)34-5/h8-9,11-13H,6-7,10,14-15H2,1-5H3,(H,28,32)(H2,26,27,29,30,31).
What are the key properties of N-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]pteridin-4-yl]amino]-2-methylhexyl]acetamide?
N-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]pteridin-4-yl]amino]-2-methylhexyl]acetamide has a molecular weight of 467.57 g/mol, XLogP of 3.55, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]pteridin-4-yl]amino]-2-methylhexyl]acetamide is sourced from PubChem (CID 134305708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).