N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-pyrazol-1-ylacetamide

C14H21N7O — CID 122293691

IUPACN-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-pyrazol-1-ylacetamide
SMILESCc1nc(NCCNC(=O)Cn2cccn2)cc(N(C)C)n1
InChIInChI=1S/C14H21N7O/c1-11-18-12(9-13(19-11)20(2)3)15-6-7-16-14(22)10-21-8-4-5-17-21/h4-5,8-9H,6-7,10H2,1-3H3,(H,16,22)(H,15,18,19)
InChIKeyQZDSNTRMQMDLAN-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.28
Rot. Bonds7

About N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-pyrazol-1-ylacetamide

N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-pyrazol-1-ylacetamide (PubChem CID 122293691) has the molecular formula C14H21N7O and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-pyrazol-1-ylacetamide
PubChem CID122293691
Molecular FormulaC14H21N7O
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC NameN-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-pyrazol-1-ylacetamide
SMILESCc1nc(NCCNC(=O)Cn2cccn2)cc(N(C)C)n1
InChIInChI=1S/C14H21N7O/c1-11-18-12(9-13(19-11)20(2)3)15-6-7-16-14(22)10-21-8-4-5-17-21/h4-5,8-9H,6-7,10H2,1-3H3,(H,16,22)(H,15,18,19)
InChIKeyQZDSNTRMQMDLAN-UHFFFAOYSA-N
XLogP0.28
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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]-2-ethylbutanamide
CID 121074604
2-cyclopropyl-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
CID 122293653
2-(benzimidazol-1-yl)-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
CID 121074724
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(3-methylphenyl)propanamide
CID 122293663
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-propan-2-ylsulfonylphenyl)acetamide
CID 122293627
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
CID 122293721
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]-2,4-dimethylbenzamide
CID 50947118
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-fluorobenzamide
CID 56699285
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-pyrrol-1-ylacetamide
CID 122295487
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide
CID 50947862

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-pyrazol-1-ylacetamide (CID 122293691) is N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-pyrazol-1-ylacetamide is Cc1nc(NCCNC(=O)Cn2cccn2)cc(N(C)C)n1.
What is the InChIKey of N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-pyrazol-1-ylacetamide?
The InChIKey is QZDSNTRMQMDLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O/c1-11-18-12(9-13(19-11)20(2)3)15-6-7-16-14(22)10-21-8-4-5-17-21/h4-5,8-9H,6-7,10H2,1-3H3,(H,16,22)(H,15,18,19).
What are the key properties of N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-pyrazol-1-ylacetamide?
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-pyrazol-1-ylacetamide has a molecular weight of 303.37 g/mol, XLogP of 0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 122293691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).