1-[[3-amino-2-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-methyl-4-pyridinyl]amino]-2-methylpropan-2-ol

C28H38N4O5 — CID 172603943

IUPAC1-[[3-amino-2-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-methyl-4-pyridinyl]amino]-2-methylpropan-2-ol
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2OC)c2nc(C)cc(NCC(C)(C)O)c2N)c(OC)c1
InChIInChI=1S/C28H38N4O5/c1-18-12-23(30-17-28(2,3)33)26(29)27(31-18)32(15-19-8-10-21(34-4)13-24(19)36-6)16-20-9-11-22(35-5)14-25(20)37-7/h8-14,33H,15-17,29H2,1-7H3,(H,30,31)
InChIKeyRUNJKQZVIKVZML-UHFFFAOYSA-N
MW510.64 g/mol
LogP4.40
Rot. Bonds12

About 1-[[3-amino-2-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-methyl-4-pyridinyl]amino]-2-methylpropan-2-ol

1-[[3-amino-2-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-methyl-4-pyridinyl]amino]-2-methylpropan-2-ol (PubChem CID 172603943) has the molecular formula C28H38N4O5 and a molecular weight of 510.64 g/mol. Its IUPAC name is 1-[[3-amino-2-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-methyl-4-pyridinyl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[3-amino-2-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-methyl-4-pyridinyl]amino]-2-methylpropan-2-ol
PubChem CID172603943
Molecular FormulaC28H38N4O5
Molecular Weight510.64 g/mol
Exact Mass510.28
IUPAC Name1-[[3-amino-2-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-methyl-4-pyridinyl]amino]-2-methylpropan-2-ol
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2OC)c2nc(C)cc(NCC(C)(C)O)c2N)c(OC)c1
InChIInChI=1S/C28H38N4O5/c1-18-12-23(30-17-28(2,3)33)26(29)27(31-18)32(15-19-8-10-21(34-4)13-24(19)36-6)16-20-9-11-22(35-5)14-25(20)37-7/h8-14,33H,15-17,29H2,1-7H3,(H,30,31)
InChIKeyRUNJKQZVIKVZML-UHFFFAOYSA-N
XLogP4.40
TPSA111.33 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.64
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-[[3-amino-2-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-methyl-4-pyridinyl]amino]-2-methylpropan-2-ol with MolForge

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Related Compounds

6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3,4-triamine
CID 155034444
N-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 32893963
1-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propan-2-ol
CID 112501230
(6-amino-1-methylimidazo[4,5-c]pyridin-4-yl)-[(2,4-dimethoxyphenyl)methyl]carbamic acid;2-methylpropan-2-ol
CID 172729356
5-(2,2-difluoropropyl)-N,N-bis[(2,4-dimethoxyphenyl)methyl]-4-methoxypyrimidin-2-amine
CID 164908037
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 115633925
N-[(2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 115257937
1-[2-(2,4-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 115137127
methyl 3-(2,4-dimethoxyanilino)-2-hydroxy-2-methylpropanoate
CID 104643628
2-[(2-hydroxy-2-methylpropyl)amino]-4-methoxybenzonitrile
CID 81303362
2-(4-aminophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 119682696
2-[tert-butyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid
CID 79268622

Frequently Asked Questions

What is the IUPAC name of 1-[[3-amino-2-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-methyl-4-pyridinyl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[3-amino-2-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-methyl-4-pyridinyl]amino]-2-methylpropan-2-ol (CID 172603943) is 1-[[3-amino-2-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-methyl-4-pyridinyl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[3-amino-2-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-methyl-4-pyridinyl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[3-amino-2-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-methyl-4-pyridinyl]amino]-2-methylpropan-2-ol is COc1ccc(CN(Cc2ccc(OC)cc2OC)c2nc(C)cc(NCC(C)(C)O)c2N)c(OC)c1.
What is the InChIKey of 1-[[3-amino-2-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-methyl-4-pyridinyl]amino]-2-methylpropan-2-ol?
The InChIKey is RUNJKQZVIKVZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O5/c1-18-12-23(30-17-28(2,3)33)26(29)27(31-18)32(15-19-8-10-21(34-4)13-24(19)36-6)16-20-9-11-22(35-5)14-25(20)37-7/h8-14,33H,15-17,29H2,1-7H3,(H,30,31).
What are the key properties of 1-[[3-amino-2-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-methyl-4-pyridinyl]amino]-2-methylpropan-2-ol?
1-[[3-amino-2-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-methyl-4-pyridinyl]amino]-2-methylpropan-2-ol has a molecular weight of 510.64 g/mol, XLogP of 4.40, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-amino-2-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-methyl-4-pyridinyl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 172603943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).