1-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]triazole-4-carboxamide

C14H19N7O2 — CID 122353728

IUPAC1-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]triazole-4-carboxamide
SMILESCc1cc(CNC(=O)c2cn(C)nn2)nc(N2CCOCC2)n1
InChIInChI=1S/C14H19N7O2/c1-10-7-11(8-15-13(22)12-9-20(2)19-18-12)17-14(16-10)21-3-5-23-6-4-21/h7,9H,3-6,8H2,1-2H3,(H,15,22)
InChIKeySTCSMLXNPNDIBV-UHFFFAOYSA-N
MW317.35 g/mol
LogP-0.32
Rot. Bonds4

About 1-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]triazole-4-carboxamide

1-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]triazole-4-carboxamide (PubChem CID 122353728) has the molecular formula C14H19N7O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 1-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]triazole-4-carboxamide
PubChem CID122353728
Molecular FormulaC14H19N7O2
Molecular Weight317.35 g/mol
Exact Mass317.16
IUPAC Name1-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]triazole-4-carboxamide
SMILESCc1cc(CNC(=O)c2cn(C)nn2)nc(N2CCOCC2)n1
InChIInChI=1S/C14H19N7O2/c1-10-7-11(8-15-13(22)12-9-20(2)19-18-12)17-14(16-10)21-3-5-23-6-4-21/h7,9H,3-6,8H2,1-2H3,(H,15,22)
InChIKeySTCSMLXNPNDIBV-UHFFFAOYSA-N
XLogP-0.32
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-chloro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 72718377
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-1-methyltriazole-4-carboxamide
CID 121137782
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyltriazole-4-carboxamide
CID 122356869
2-(1H-indol-3-yl)-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide
CID 91967492
5-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-1,2-oxazole-4-carboxamide
CID 122353746
2,4-dimethyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967457
6-methyl-2-morpholin-4-yl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 56731265
N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(3-methylphenyl)acetamide
CID 122353695
1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-phenylurea
CID 91967530
N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-phenylpropanamide
CID 91967478
N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyrimidin-2-yloxyacetamide
CID 72718392
2-chloro-4-fluoro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967484

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]triazole-4-carboxamide (CID 122353728) is 1-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]triazole-4-carboxamide is Cc1cc(CNC(=O)c2cn(C)nn2)nc(N2CCOCC2)n1.
What is the InChIKey of 1-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]triazole-4-carboxamide?
The InChIKey is STCSMLXNPNDIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O2/c1-10-7-11(8-15-13(22)12-9-20(2)19-18-12)17-14(16-10)21-3-5-23-6-4-21/h7,9H,3-6,8H2,1-2H3,(H,15,22).
What are the key properties of 1-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]triazole-4-carboxamide?
1-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]triazole-4-carboxamide has a molecular weight of 317.35 g/mol, XLogP of -0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 122353728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).