N-[[4-(dimethylamino)cyclohexyl]methyl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C16H22F3N5 — CID 166634634

IUPACN-[[4-(dimethylamino)cyclohexyl]methyl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(C)C1CCC(CNc2ncnc3[nH]c(C(F)(F)F)cc23)CC1
InChIInChI=1S/C16H22F3N5/c1-24(2)11-5-3-10(4-6-11)8-20-14-12-7-13(16(17,18)19)23-15(12)22-9-21-14/h7,9-11H,3-6,8H2,1-2H3,(H2,20,21,22,23)
InChIKeyGMFSFEUCPVQDFM-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.51
Rot. Bonds4

About N-[[4-(dimethylamino)cyclohexyl]methyl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-[[4-(dimethylamino)cyclohexyl]methyl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 166634634) has the molecular formula C16H22F3N5 and a molecular weight of 341.38 g/mol. Its IUPAC name is N-[[4-(dimethylamino)cyclohexyl]methyl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)cyclohexyl]methyl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID166634634
Molecular FormulaC16H22F3N5
Molecular Weight341.38 g/mol
Exact Mass341.18
IUPAC NameN-[[4-(dimethylamino)cyclohexyl]methyl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(C)C1CCC(CNc2ncnc3[nH]c(C(F)(F)F)cc23)CC1
InChIInChI=1S/C16H22F3N5/c1-24(2)11-5-3-10(4-6-11)8-20-14-12-7-13(16(17,18)19)23-15(12)22-9-21-14/h7,9-11H,3-6,8H2,1-2H3,(H2,20,21,22,23)
InChIKeyGMFSFEUCPVQDFM-UHFFFAOYSA-N
XLogP3.51
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)cyclohexyl]methyl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[[4-(dimethylamino)cyclohexyl]methyl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 166634634) is N-[[4-(dimethylamino)cyclohexyl]methyl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[4-(dimethylamino)cyclohexyl]methyl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[[4-(dimethylamino)cyclohexyl]methyl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CN(C)C1CCC(CNc2ncnc3[nH]c(C(F)(F)F)cc23)CC1.
What is the InChIKey of N-[[4-(dimethylamino)cyclohexyl]methyl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is GMFSFEUCPVQDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N5/c1-24(2)11-5-3-10(4-6-11)8-20-14-12-7-13(16(17,18)19)23-15(12)22-9-21-14/h7,9-11H,3-6,8H2,1-2H3,(H2,20,21,22,23).
What are the key properties of N-[[4-(dimethylamino)cyclohexyl]methyl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[[4-(dimethylamino)cyclohexyl]methyl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 341.38 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)cyclohexyl]methyl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 166634634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).