N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,4-dimethylbenzamide

C18H25N5O — CID 50947118

IUPACN-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCNc2cc(N(C)C)nc(C)n2)c(C)c1
InChIInChI=1S/C18H25N5O/c1-12-6-7-15(13(2)10-12)18(24)20-9-8-19-16-11-17(23(4)5)22-14(3)21-16/h6-7,10-11H,8-9H2,1-5H3,(H,20,24)(H,19,21,22)
InChIKeyIMWJZYKZIOMNIB-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.31
Rot. Bonds6

About N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,4-dimethylbenzamide

N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,4-dimethylbenzamide (PubChem CID 50947118) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,4-dimethylbenzamide
PubChem CID50947118
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCNc2cc(N(C)C)nc(C)n2)c(C)c1
InChIInChI=1S/C18H25N5O/c1-12-6-7-15(13(2)10-12)18(24)20-9-8-19-16-11-17(23(4)5)22-14(3)21-16/h6-7,10-11H,8-9H2,1-5H3,(H,20,24)(H,19,21,22)
InChIKeyIMWJZYKZIOMNIB-UHFFFAOYSA-N
XLogP2.31
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-fluorobenzamide
CID 56699285
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-ethylbutanamide
CID 121074604
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide
CID 50947862
1-(2-chloro-4-methylphenyl)-3-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]urea
CID 121074982
2,4-dimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56700339
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,4,5-trifluoro-3-methoxybenzamide
CID 122293671
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-(trifluoromethoxy)benzamide
CID 122293641
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]quinoline-2-carboxamide
CID 122293584
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-pentoxybenzamide
CID 122293670
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-1-methyltriazole-4-carboxamide
CID 122293636
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(3-methylphenyl)propanamide
CID 122293663
N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]-4-methylbenzamide
CID 60964745

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,4-dimethylbenzamide (CID 50947118) is N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)NCCNc2cc(N(C)C)nc(C)n2)c(C)c1.
What is the InChIKey of N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,4-dimethylbenzamide?
The InChIKey is IMWJZYKZIOMNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-12-6-7-15(13(2)10-12)18(24)20-9-8-19-16-11-17(23(4)5)22-14(3)21-16/h6-7,10-11H,8-9H2,1-5H3,(H,20,24)(H,19,21,22).
What are the key properties of N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,4-dimethylbenzamide?
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,4-dimethylbenzamide has a molecular weight of 327.43 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 50947118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).