6-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methyl-2-pyrrolidin-2-ylpyrimidin-4-amine;hydrochloride

C18H25ClFN5 — CID 171687266

IUPAC6-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methyl-2-pyrrolidin-2-ylpyrimidin-4-amine;hydrochloride
SMILESCNc1cc(CN(C)Cc2ccc(F)cc2)nc(C2CCCN2)n1.Cl
InChIInChI=1S/C18H24FN5.ClH/c1-20-17-10-15(22-18(23-17)16-4-3-9-21-16)12-24(2)11-13-5-7-14(19)8-6-13;/h5-8,10,16,21H,3-4,9,11-12H2,1-2H3,(H,20,22,23);1H
InChIKeyIAHZPZOCFGQQRJ-UHFFFAOYSA-N
MW365.88 g/mol
LogP3.14
Rot. Bonds6

About 6-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methyl-2-pyrrolidin-2-ylpyrimidin-4-amine;hydrochloride

6-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methyl-2-pyrrolidin-2-ylpyrimidin-4-amine;hydrochloride (PubChem CID 171687266) has the molecular formula C18H25ClFN5 and a molecular weight of 365.88 g/mol. Its IUPAC name is 6-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methyl-2-pyrrolidin-2-ylpyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name6-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methyl-2-pyrrolidin-2-ylpyrimidin-4-amine;hydrochloride
PubChem CID171687266
Molecular FormulaC18H25ClFN5
Molecular Weight365.88 g/mol
Exact Mass365.18
IUPAC Name6-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methyl-2-pyrrolidin-2-ylpyrimidin-4-amine;hydrochloride
SMILESCNc1cc(CN(C)Cc2ccc(F)cc2)nc(C2CCCN2)n1.Cl
InChIInChI=1S/C18H24FN5.ClH/c1-20-17-10-15(22-18(23-17)16-4-3-9-21-16)12-24(2)11-13-5-7-14(19)8-6-13;/h5-8,10,16,21H,3-4,9,11-12H2,1-2H3,(H,20,22,23);1H
InChIKeyIAHZPZOCFGQQRJ-UHFFFAOYSA-N
XLogP3.14
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methyl-2-pyrrolidin-2-ylpyrimidin-4-amine;hydrochloride?
The IUPAC name of 6-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methyl-2-pyrrolidin-2-ylpyrimidin-4-amine;hydrochloride (CID 171687266) is 6-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methyl-2-pyrrolidin-2-ylpyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 6-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methyl-2-pyrrolidin-2-ylpyrimidin-4-amine;hydrochloride?
The canonical SMILES for 6-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methyl-2-pyrrolidin-2-ylpyrimidin-4-amine;hydrochloride is CNc1cc(CN(C)Cc2ccc(F)cc2)nc(C2CCCN2)n1.Cl.
What is the InChIKey of 6-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methyl-2-pyrrolidin-2-ylpyrimidin-4-amine;hydrochloride?
The InChIKey is IAHZPZOCFGQQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5.ClH/c1-20-17-10-15(22-18(23-17)16-4-3-9-21-16)12-24(2)11-13-5-7-14(19)8-6-13;/h5-8,10,16,21H,3-4,9,11-12H2,1-2H3,(H,20,22,23);1H.
What are the key properties of 6-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methyl-2-pyrrolidin-2-ylpyrimidin-4-amine;hydrochloride?
6-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methyl-2-pyrrolidin-2-ylpyrimidin-4-amine;hydrochloride has a molecular weight of 365.88 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methyl-2-pyrrolidin-2-ylpyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 171687266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).