N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyltriazole-4-carboxamide

C14H19N7O2 — CID 122356869

IUPACN-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyltriazole-4-carboxamide
SMILESCc1nc(N2CCOCC2)nc(C)c1NC(=O)c1cn(C)nn1
InChIInChI=1S/C14H19N7O2/c1-9-12(17-13(22)11-8-20(3)19-18-11)10(2)16-14(15-9)21-4-6-23-7-5-21/h8H,4-7H2,1-3H3,(H,17,22)
InChIKeyHEPFSSLJIPPIDX-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.31
Rot. Bonds3

About N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyltriazole-4-carboxamide

N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyltriazole-4-carboxamide (PubChem CID 122356869) has the molecular formula C14H19N7O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyltriazole-4-carboxamide
PubChem CID122356869
Molecular FormulaC14H19N7O2
Molecular Weight317.35 g/mol
Exact Mass317.16
IUPAC NameN-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyltriazole-4-carboxamide
SMILESCc1nc(N2CCOCC2)nc(C)c1NC(=O)c1cn(C)nn1
InChIInChI=1S/C14H19N7O2/c1-9-12(17-13(22)11-8-20(3)19-18-11)10(2)16-14(15-9)21-4-6-23-7-5-21/h8H,4-7H2,1-3H3,(H,17,22)
InChIKeyHEPFSSLJIPPIDX-UHFFFAOYSA-N
XLogP0.31
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]triazole-4-carboxamide
CID 122353728
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-phenyltriazole-4-carboxamide
CID 122356809
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-1-methyltriazole-4-carboxamide
CID 121137782
5-bromo-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)furan-2-carboxamide
CID 91968599
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-pyrrol-1-ylbenzamide
CID 122356909
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-1-methyltriazole-4-carboxamide
CID 122303758
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide
CID 122356821
2-chloro-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-fluorobenzamide
CID 91968602
1-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-methylphenyl)urea
CID 91968661
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-methylbutanamide
CID 71807274
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-5-methylpyrazine-2-carboxamide
CID 122357284
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122356884

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyltriazole-4-carboxamide?
The IUPAC name of N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyltriazole-4-carboxamide (CID 122356869) is N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyltriazole-4-carboxamide?
The canonical SMILES for N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyltriazole-4-carboxamide is Cc1nc(N2CCOCC2)nc(C)c1NC(=O)c1cn(C)nn1.
What is the InChIKey of N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyltriazole-4-carboxamide?
The InChIKey is HEPFSSLJIPPIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O2/c1-9-12(17-13(22)11-8-20(3)19-18-11)10(2)16-14(15-9)21-4-6-23-7-5-21/h8H,4-7H2,1-3H3,(H,17,22).
What are the key properties of N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyltriazole-4-carboxamide?
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyltriazole-4-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyltriazole-4-carboxamide is sourced from PubChem (CID 122356869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).