N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(3-methylphenyl)propanamide

C19H27N5O — CID 122293663

IUPACN-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)NCCNc2cc(N(C)C)nc(C)n2)c1
InChIInChI=1S/C19H27N5O/c1-14-6-5-7-16(12-14)8-9-19(25)21-11-10-20-17-13-18(24(3)4)23-15(2)22-17/h5-7,12-13H,8-11H2,1-4H3,(H,21,25)(H,20,22,23)
InChIKeyMIXHNUOTMSGWOO-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.32
Rot. Bonds8

About N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(3-methylphenyl)propanamide

N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(3-methylphenyl)propanamide (PubChem CID 122293663) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(3-methylphenyl)propanamide
PubChem CID122293663
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)NCCNc2cc(N(C)C)nc(C)n2)c1
InChIInChI=1S/C19H27N5O/c1-14-6-5-7-16(12-14)8-9-19(25)21-11-10-20-17-13-18(24(3)4)23-15(2)22-17/h5-7,12-13H,8-11H2,1-4H3,(H,21,25)(H,20,22,23)
InChIKeyMIXHNUOTMSGWOO-UHFFFAOYSA-N
XLogP2.32
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.32
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-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3-(3-methylphenyl)propanamide
CID 122320841
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-(3-methoxyphenoxy)acetamide
CID 122293596
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,4-dimethylbenzamide
CID 50947118
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-pyrazol-1-ylacetamide
CID 122293691
2-cyclopropyl-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
CID 122293653
3-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide
CID 122292805
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 122293627
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
N-(3-bromopropyl)-3-(3-methylphenyl)propanamide
CID 62365535
N-(4-hydroxybutyl)-3-(3-methylphenyl)propanamide
CID 106843245
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]quinoline-2-carboxamide
CID 122293584

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(3-methylphenyl)propanamide?
The IUPAC name of N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(3-methylphenyl)propanamide (CID 122293663) is N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(3-methylphenyl)propanamide is Cc1cccc(CCC(=O)NCCNc2cc(N(C)C)nc(C)n2)c1.
What is the InChIKey of N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(3-methylphenyl)propanamide?
The InChIKey is MIXHNUOTMSGWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-14-6-5-7-16(12-14)8-9-19(25)21-11-10-20-17-13-18(24(3)4)23-15(2)22-17/h5-7,12-13H,8-11H2,1-4H3,(H,21,25)(H,20,22,23).
What are the key properties of N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(3-methylphenyl)propanamide?
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(3-methylphenyl)propanamide has a molecular weight of 341.46 g/mol, XLogP of 2.32, 8 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]-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 122293663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).