N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-2,2,2-trifluoroacetamide

C15H22F3N5O — CID 87642930

IUPACN-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-2,2,2-trifluoroacetamide
SMILESCc1nc(NC2CCC(NC(=O)C(F)(F)F)CC2)cc(N(C)C)n1
InChIInChI=1S/C15H22F3N5O/c1-9-19-12(8-13(20-9)23(2)3)21-10-4-6-11(7-5-10)22-14(24)15(16,17)18/h8,10-11H,4-7H2,1-3H3,(H,22,24)(H,19,20,21)
InChIKeyVWDKYDQUNNSENN-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.25
Rot. Bonds4

About N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-2,2,2-trifluoroacetamide

N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-2,2,2-trifluoroacetamide (PubChem CID 87642930) has the molecular formula C15H22F3N5O and a molecular weight of 345.37 g/mol. Its IUPAC name is N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-2,2,2-trifluoroacetamide
PubChem CID87642930
Molecular FormulaC15H22F3N5O
Molecular Weight345.37 g/mol
Exact Mass345.18
IUPAC NameN-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-2,2,2-trifluoroacetamide
SMILESCc1nc(NC2CCC(NC(=O)C(F)(F)F)CC2)cc(N(C)C)n1
InChIInChI=1S/C15H22F3N5O/c1-9-19-12(8-13(20-9)23(2)3)21-10-4-6-11(7-5-10)22-14(24)15(16,17)18/h8,10-11H,4-7H2,1-3H3,(H,22,24)(H,19,20,21)
InChIKeyVWDKYDQUNNSENN-UHFFFAOYSA-N
XLogP2.25
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-2,2,2-trifluoroacetamide (CID 87642930) is N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-2,2,2-trifluoroacetamide is Cc1nc(NC2CCC(NC(=O)C(F)(F)F)CC2)cc(N(C)C)n1.
What is the InChIKey of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-2,2,2-trifluoroacetamide?
The InChIKey is VWDKYDQUNNSENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N5O/c1-9-19-12(8-13(20-9)23(2)3)21-10-4-6-11(7-5-10)22-14(24)15(16,17)18/h8,10-11H,4-7H2,1-3H3,(H,22,24)(H,19,20,21).
What are the key properties of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-2,2,2-trifluoroacetamide?
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-2,2,2-trifluoroacetamide has a molecular weight of 345.37 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 87642930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).