N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(4-methoxybenzoyl)pyrimidin-2-yl]amino]phenyl]acetamide

C26H32N6O4 — CID 155239334

IUPACN-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(4-methoxybenzoyl)pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCOc1ccc(C(=O)c2ccnc(Nc3cc(NC(C)=O)c(N(C)CCN(C)C)cc3OC)n2)cc1
InChIInChI=1S/C26H32N6O4/c1-17(33)28-21-15-22(24(36-6)16-23(21)32(4)14-13-31(2)3)30-26-27-12-11-20(29-26)25(34)18-7-9-19(35-5)10-8-18/h7-12,15-16H,13-14H2,1-6H3,(H,28,33)(H,27,29,30)
InChIKeyRZZLKFVJEGMLIQ-UHFFFAOYSA-N
MW492.58 g/mol
LogP3.42
Rot. Bonds11

About N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(4-methoxybenzoyl)pyrimidin-2-yl]amino]phenyl]acetamide

N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(4-methoxybenzoyl)pyrimidin-2-yl]amino]phenyl]acetamide (PubChem CID 155239334) has the molecular formula C26H32N6O4 and a molecular weight of 492.58 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(4-methoxybenzoyl)pyrimidin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(4-methoxybenzoyl)pyrimidin-2-yl]amino]phenyl]acetamide
PubChem CID155239334
Molecular FormulaC26H32N6O4
Molecular Weight492.58 g/mol
Exact Mass492.25
IUPAC NameN-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(4-methoxybenzoyl)pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCOc1ccc(C(=O)c2ccnc(Nc3cc(NC(C)=O)c(N(C)CCN(C)C)cc3OC)n2)cc1
InChIInChI=1S/C26H32N6O4/c1-17(33)28-21-15-22(24(36-6)16-23(21)32(4)14-13-31(2)3)30-26-27-12-11-20(29-26)25(34)18-7-9-19(35-5)10-8-18/h7-12,15-16H,13-14H2,1-6H3,(H,28,33)(H,27,29,30)
InChIKeyRZZLKFVJEGMLIQ-UHFFFAOYSA-N
XLogP3.42
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(4-propoxybenzoyl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 155239335
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(4-propan-2-yloxybenzoyl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 138538869
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(4-propoxybenzoyl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 138538868
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2,4,6-trimethoxybenzoyl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 138538722
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-methoxy-4-piperidin-1-ylbenzoyl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 155239348
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[4-(2-methoxyethylamino)benzoyl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 138538538
N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[4-[(3S)-3-hydroxypyrrolidin-1-yl]benzoyl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide
CID 150492937
N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(2,4-dipropoxybenzoyl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide
CID 138538587
N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[4-(3-hydroxypiperidin-1-yl)benzoyl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide
CID 155045347
N-[5-[[4-(2-bromobenzoyl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide
CID 138538552
N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(4-fluoro-2-methoxybenzoyl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide
CID 138538585
N-[5-[(4-aminopyrimidin-2-yl)amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide
CID 130196997

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(4-methoxybenzoyl)pyrimidin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(4-methoxybenzoyl)pyrimidin-2-yl]amino]phenyl]acetamide (CID 155239334) is N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(4-methoxybenzoyl)pyrimidin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(4-methoxybenzoyl)pyrimidin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(4-methoxybenzoyl)pyrimidin-2-yl]amino]phenyl]acetamide is COc1ccc(C(=O)c2ccnc(Nc3cc(NC(C)=O)c(N(C)CCN(C)C)cc3OC)n2)cc1.
What is the InChIKey of N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(4-methoxybenzoyl)pyrimidin-2-yl]amino]phenyl]acetamide?
The InChIKey is RZZLKFVJEGMLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O4/c1-17(33)28-21-15-22(24(36-6)16-23(21)32(4)14-13-31(2)3)30-26-27-12-11-20(29-26)25(34)18-7-9-19(35-5)10-8-18/h7-12,15-16H,13-14H2,1-6H3,(H,28,33)(H,27,29,30).
What are the key properties of N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(4-methoxybenzoyl)pyrimidin-2-yl]amino]phenyl]acetamide?
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(4-methoxybenzoyl)pyrimidin-2-yl]amino]phenyl]acetamide has a molecular weight of 492.58 g/mol, XLogP of 3.42, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(4-methoxybenzoyl)pyrimidin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 155239334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).