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

C18H28FN7 — CID 72906502

IUPAC2-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine
SMILESCNc1nc(N2CCC(c3nccn3CCCN(C)C)CC2)ncc1F
InChIInChI=1S/C18H28FN7/c1-20-16-15(19)13-22-18(23-16)26-10-5-14(6-11-26)17-21-7-12-25(17)9-4-8-24(2)3/h7,12-14H,4-6,8-11H2,1-3H3,(H,20,22,23)
InChIKeyNEBOHYNRBDOGAK-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.19
Rot. Bonds7

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

2-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine (PubChem CID 72906502) has the molecular formula C18H28FN7 and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine
PubChem CID72906502
Molecular FormulaC18H28FN7
Molecular Weight361.47 g/mol
Exact Mass361.24
IUPAC Name2-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine
SMILESCNc1nc(N2CCC(c3nccn3CCCN(C)C)CC2)ncc1F
InChIInChI=1S/C18H28FN7/c1-20-16-15(19)13-22-18(23-16)26-10-5-14(6-11-26)17-21-7-12-25(17)9-4-8-24(2)3/h7,12-14H,4-6,8-11H2,1-3H3,(H,20,22,23)
InChIKeyNEBOHYNRBDOGAK-UHFFFAOYSA-N
XLogP2.19
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-5-fluoro-N-methylpyrimidin-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-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine?
The IUPAC name of 2-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine (CID 72906502) is 2-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine is CNc1nc(N2CCC(c3nccn3CCCN(C)C)CC2)ncc1F.
What is the InChIKey of 2-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine?
The InChIKey is NEBOHYNRBDOGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN7/c1-20-16-15(19)13-22-18(23-16)26-10-5-14(6-11-26)17-21-7-12-25(17)9-4-8-24(2)3/h7,12-14H,4-6,8-11H2,1-3H3,(H,20,22,23).
What are the key properties of 2-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine?
2-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine has a molecular weight of 361.47 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine is sourced from PubChem (CID 72906502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).