[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methanone

C18H26F3N5O — CID 146101204

IUPAC[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCC(C)(C(F)(F)F)CC2)nc(N2CC[C@@H](N)C2)c1C
InChIInChI=1S/C18H26F3N5O/c1-11-12(2)23-14(24-15(11)26-7-4-13(22)10-26)16(27)25-8-5-17(3,6-9-25)18(19,20)21/h13H,4-10,22H2,1-3H3/t13-/m1/s1
InChIKeyWTPISSWYCTUKSB-CYBMUJFWSA-N
MW385.43 g/mol
LogP2.44
Rot. Bonds2

About [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methanone

[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 146101204) has the molecular formula C18H26F3N5O and a molecular weight of 385.43 g/mol. Its IUPAC name is [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID146101204
Molecular FormulaC18H26F3N5O
Molecular Weight385.43 g/mol
Exact Mass385.21
IUPAC Name[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCC(C)(C(F)(F)F)CC2)nc(N2CC[C@@H](N)C2)c1C
InChIInChI=1S/C18H26F3N5O/c1-11-12(2)23-14(24-15(11)26-7-4-13(22)10-26)16(27)25-8-5-17(3,6-9-25)18(19,20)21/h13H,4-10,22H2,1-3H3/t13-/m1/s1
InChIKeyWTPISSWYCTUKSB-CYBMUJFWSA-N
XLogP2.44
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methanone (CID 146101204) is [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methanone is Cc1nc(C(=O)N2CCC(C)(C(F)(F)F)CC2)nc(N2CC[C@@H](N)C2)c1C.
What is the InChIKey of [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is WTPISSWYCTUKSB-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H26F3N5O/c1-11-12(2)23-14(24-15(11)26-7-4-13(22)10-26)16(27)25-8-5-17(3,6-9-25)18(19,20)21/h13H,4-10,22H2,1-3H3/t13-/m1/s1.
What are the key properties of [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methanone?
[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 385.43 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 146101204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).