6-[2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine

C20H24FN7 — CID 119127257

IUPAC6-[2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
SMILESCNc1cc(N2CCCC2CNCc2cn[nH]c2-c2ccc(F)cc2)ncn1
InChIInChI=1S/C20H24FN7/c1-22-18-9-19(25-13-24-18)28-8-2-3-17(28)12-23-10-15-11-26-27-20(15)14-4-6-16(21)7-5-14/h4-7,9,11,13,17,23H,2-3,8,10,12H2,1H3,(H,26,27)(H,22,24,25)
InChIKeyIVZKIMVYPZCJBX-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.81
Rot. Bonds7

About 6-[2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine

6-[2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine (PubChem CID 119127257) has the molecular formula C20H24FN7 and a molecular weight of 381.46 g/mol. Its IUPAC name is 6-[2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
PubChem CID119127257
Molecular FormulaC20H24FN7
Molecular Weight381.46 g/mol
Exact Mass381.21
IUPAC Name6-[2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
SMILESCNc1cc(N2CCCC2CNCc2cn[nH]c2-c2ccc(F)cc2)ncn1
InChIInChI=1S/C20H24FN7/c1-22-18-9-19(25-13-24-18)28-8-2-3-17(28)12-23-10-15-11-26-27-20(15)14-4-6-16(21)7-5-14/h4-7,9,11,13,17,23H,2-3,8,10,12H2,1H3,(H,26,27)(H,22,24,25)
InChIKeyIVZKIMVYPZCJBX-UHFFFAOYSA-N
XLogP2.81
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine?
The IUPAC name of 6-[2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine (CID 119127257) is 6-[2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-[2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine is CNc1cc(N2CCCC2CNCc2cn[nH]c2-c2ccc(F)cc2)ncn1.
What is the InChIKey of 6-[2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine?
The InChIKey is IVZKIMVYPZCJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN7/c1-22-18-9-19(25-13-24-18)28-8-2-3-17(28)12-23-10-15-11-26-27-20(15)14-4-6-16(21)7-5-14/h4-7,9,11,13,17,23H,2-3,8,10,12H2,1H3,(H,26,27)(H,22,24,25).
What are the key properties of 6-[2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine?
6-[2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine has a molecular weight of 381.46 g/mol, XLogP of 2.81, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 119127257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).