N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-1-methyltriazole-4-carboxamide

C13H20N8O — CID 122293636

IUPACN-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-1-methyltriazole-4-carboxamide
SMILESCc1nc(NCCNC(=O)c2cn(C)nn2)cc(N(C)C)n1
InChIInChI=1S/C13H20N8O/c1-9-16-11(7-12(17-9)20(2)3)14-5-6-15-13(22)10-8-21(4)19-18-10/h7-8H,5-6H2,1-4H3,(H,15,22)(H,14,16,17)
InChIKeyVFEBBBNAJMWZSS-UHFFFAOYSA-N
MW304.36 g/mol
LogP-0.18
Rot. Bonds6

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

N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-1-methyltriazole-4-carboxamide (PubChem CID 122293636) has the molecular formula C13H20N8O and a molecular weight of 304.36 g/mol. Its IUPAC name is N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-1-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-1-methyltriazole-4-carboxamide
PubChem CID122293636
Molecular FormulaC13H20N8O
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC NameN-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-1-methyltriazole-4-carboxamide
SMILESCc1nc(NCCNC(=O)c2cn(C)nn2)cc(N(C)C)n1
InChIInChI=1S/C13H20N8O/c1-9-16-11(7-12(17-9)20(2)3)14-5-6-15-13(22)10-8-21(4)19-18-10/h7-8H,5-6H2,1-4H3,(H,15,22)(H,14,16,17)
InChIKeyVFEBBBNAJMWZSS-UHFFFAOYSA-N
XLogP-0.18
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-1-methyltriazole-4-carboxamide
CID 122295428
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]-2-ethylbutanamide
CID 121074604
1-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]triazole-4-carboxamide
CID 122315557
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-fluorobenzamide
CID 56699285
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,4-dimethylbenzamide
CID 50947118
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide
CID 50947862
N-(2-acetamidoethyl)-1-methyltriazole-4-carboxamide
CID 110691590
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-pyrazol-1-ylacetamide
CID 122293691
1-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(2-fluorophenyl)urea
CID 47001063
2-cyclopropyl-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
CID 122293653
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,4,5-trifluoro-3-methoxybenzamide
CID 122293671

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-1-methyltriazole-4-carboxamide?
The IUPAC name of N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-1-methyltriazole-4-carboxamide (CID 122293636) is N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-1-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-1-methyltriazole-4-carboxamide?
The canonical SMILES for N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-1-methyltriazole-4-carboxamide is Cc1nc(NCCNC(=O)c2cn(C)nn2)cc(N(C)C)n1.
What is the InChIKey of N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-1-methyltriazole-4-carboxamide?
The InChIKey is VFEBBBNAJMWZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N8O/c1-9-16-11(7-12(17-9)20(2)3)14-5-6-15-13(22)10-8-21(4)19-18-10/h7-8H,5-6H2,1-4H3,(H,15,22)(H,14,16,17).
What are the key properties of N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-1-methyltriazole-4-carboxamide?
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-1-methyltriazole-4-carboxamide has a molecular weight of 304.36 g/mol, XLogP of -0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-1-methyltriazole-4-carboxamide is sourced from PubChem (CID 122293636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).