2-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-5-fluoro-N,N-dimethylpyrimidin-4-amine

C19H30FN7 — CID 97192183

IUPAC2-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-5-fluoro-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)CCCn1ccnc1[C@H]1CCCN(c2ncc(F)c(N(C)C)n2)C1
InChIInChI=1S/C19H30FN7/c1-24(2)9-6-11-26-12-8-21-17(26)15-7-5-10-27(14-15)19-22-13-16(20)18(23-19)25(3)4/h8,12-13,15H,5-7,9-11,14H2,1-4H3/t15-/m0/s1
InChIKeyILMDCAXPSGLCLL-HNNXBMFYSA-N
MW375.50 g/mol
LogP2.21
Rot. Bonds7

About 2-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-5-fluoro-N,N-dimethylpyrimidin-4-amine

2-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-5-fluoro-N,N-dimethylpyrimidin-4-amine (PubChem CID 97192183) has the molecular formula C19H30FN7 and a molecular weight of 375.50 g/mol. Its IUPAC name is 2-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-5-fluoro-N,N-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-5-fluoro-N,N-dimethylpyrimidin-4-amine
PubChem CID97192183
Molecular FormulaC19H30FN7
Molecular Weight375.50 g/mol
Exact Mass375.25
IUPAC Name2-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-5-fluoro-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)CCCn1ccnc1[C@H]1CCCN(c2ncc(F)c(N(C)C)n2)C1
InChIInChI=1S/C19H30FN7/c1-24(2)9-6-11-26-12-8-21-17(26)15-7-5-10-27(14-15)19-22-13-16(20)18(23-19)25(3)4/h8,12-13,15H,5-7,9-11,14H2,1-4H3/t15-/m0/s1
InChIKeyILMDCAXPSGLCLL-HNNXBMFYSA-N
XLogP2.21
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-5-fluoro-N,N-dimethylpyrimidin-4-amine 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 2-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-5-fluoro-N,N-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-5-fluoro-N,N-dimethylpyrimidin-4-amine (CID 97192183) is 2-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-5-fluoro-N,N-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-5-fluoro-N,N-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-5-fluoro-N,N-dimethylpyrimidin-4-amine is CN(C)CCCn1ccnc1[C@H]1CCCN(c2ncc(F)c(N(C)C)n2)C1.
What is the InChIKey of 2-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-5-fluoro-N,N-dimethylpyrimidin-4-amine?
The InChIKey is ILMDCAXPSGLCLL-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H30FN7/c1-24(2)9-6-11-26-12-8-21-17(26)15-7-5-10-27(14-15)19-22-13-16(20)18(23-19)25(3)4/h8,12-13,15H,5-7,9-11,14H2,1-4H3/t15-/m0/s1.
What are the key properties of 2-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-5-fluoro-N,N-dimethylpyrimidin-4-amine?
2-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-5-fluoro-N,N-dimethylpyrimidin-4-amine has a molecular weight of 375.50 g/mol, XLogP of 2.21, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-5-fluoro-N,N-dimethylpyrimidin-4-amine is sourced from PubChem (CID 97192183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).