N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-5-methyl-2-phenyltriazole-4-carboxamide

C23H30N8O — CID 141223813

IUPACN-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-5-methyl-2-phenyltriazole-4-carboxamide
SMILESCc1nc(NC2CCC(NC(=O)c3nn(-c4ccccc4)nc3C)CC2)cc(N(C)C)n1
InChIInChI=1S/C23H30N8O/c1-15-22(29-31(28-15)19-8-6-5-7-9-19)23(32)27-18-12-10-17(11-13-18)26-20-14-21(30(3)4)25-16(2)24-20/h5-9,14,17-18H,10-13H2,1-4H3,(H,27,32)(H,24,25,26)
InChIKeyOXYAYYJSPZVRPZ-UHFFFAOYSA-N
MW434.55 g/mol
LogP2.89
Rot. Bonds6

About N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-5-methyl-2-phenyltriazole-4-carboxamide

N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-5-methyl-2-phenyltriazole-4-carboxamide (PubChem CID 141223813) has the molecular formula C23H30N8O and a molecular weight of 434.55 g/mol. Its IUPAC name is N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-5-methyl-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-5-methyl-2-phenyltriazole-4-carboxamide
PubChem CID141223813
Molecular FormulaC23H30N8O
Molecular Weight434.55 g/mol
Exact Mass434.25
IUPAC NameN-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-5-methyl-2-phenyltriazole-4-carboxamide
SMILESCc1nc(NC2CCC(NC(=O)c3nn(-c4ccccc4)nc3C)CC2)cc(N(C)C)n1
InChIInChI=1S/C23H30N8O/c1-15-22(29-31(28-15)19-8-6-5-7-9-19)23(32)27-18-12-10-17(11-13-18)26-20-14-21(30(3)4)25-16(2)24-20/h5-9,14,17-18H,10-13H2,1-4H3,(H,27,32)(H,24,25,26)
InChIKeyOXYAYYJSPZVRPZ-UHFFFAOYSA-N
XLogP2.89
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.55
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-5-methyl-2-phenyltriazole-4-carboxamide with MolForge

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Related Compounds

[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]carbamic acid
CID 68977621
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]thiophene-2-carboxamide
CID 141223776
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-9,10-dioxoanthracene-2-carboxamide
CID 141223961
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-ethoxybenzamide
CID 11574826
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-2-(3-fluoro-4-phenylphenyl)propanamide
CID 141223984
4-N,4-N,2-trimethyl-6-N-[4-(2-phenylethylamino)cyclohexyl]pyrimidine-4,6-diamine
CID 91320744
2-(3-chlorophenyl)-N-cycloheptyl-5-methyltriazole-4-carboxamide
CID 4963637
2-(1-benzothiophen-3-yl)-N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]acetamide
CID 141223779
1-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-(2-ethoxyphenyl)urea
CID 11654518
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-(1,3-oxazol-5-yl)benzamide
CID 141223965
1-(3,4-dimethoxyphenyl)-3-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]urea
CID 68979415
N-hydroxy-5-methyl-2-phenyltriazole-4-carboxamide
CID 135968921

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-5-methyl-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-5-methyl-2-phenyltriazole-4-carboxamide (CID 141223813) is N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-5-methyl-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-5-methyl-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-5-methyl-2-phenyltriazole-4-carboxamide is Cc1nc(NC2CCC(NC(=O)c3nn(-c4ccccc4)nc3C)CC2)cc(N(C)C)n1.
What is the InChIKey of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-5-methyl-2-phenyltriazole-4-carboxamide?
The InChIKey is OXYAYYJSPZVRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N8O/c1-15-22(29-31(28-15)19-8-6-5-7-9-19)23(32)27-18-12-10-17(11-13-18)26-20-14-21(30(3)4)25-16(2)24-20/h5-9,14,17-18H,10-13H2,1-4H3,(H,27,32)(H,24,25,26).
What are the key properties of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-5-methyl-2-phenyltriazole-4-carboxamide?
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-5-methyl-2-phenyltriazole-4-carboxamide has a molecular weight of 434.55 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-5-methyl-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 141223813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).